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Hands-on-training in high technology areas is usually limited due to the high cost for lab infrastructure and equipment. One specific example is the field of MEMS, where investment and upkeep of clean rooms with microtechnology equipment is either financed by production or R&D projects greatly reducing the availability for education purposes. For efficient hands-on-courses a MEMS training foundry, currently used jointly by six higher education institutions, was established at FH Kaiserslautern. In a typical one week course, students manufacture a micromachined pressure sensor including all lithography, thin film and packaging steps. This compact and yet complete program is only possible because participants learn to use the different complex machines in advance via a Virtual Training Lab (VTL). In this paper we present the concept of the MEMS training foundry and the VTL preparation together with results from a scientific evaluation of the VTL over the last three years.
Mertens, Alexander ; Brauner, Philipp ; Baier, Ralph ; Brillowski, Florian ; Dammers, Hannah ; van Dyck, Marc ; Kong, Iris ; Königs, Peter ; Kordtomeikel, Frauke ; Liehner, Gian Luca ; Pütz, Sebastian ; Rodermann, Niklas ; Schaar, Anne Kathrin ; Steuer-Dankert, Linda ; Vervier, Luisa ; Wlecke, Shari ; Gries, Thomas ; Leicht-Scholten, Carmen ; Nagel, Saskia K. ; Piller, Frank T. ; Schuh, Günther ; Ziefle, Martina ; Nitsch, Verena
The future of industrial manufacturing and production will increasingly manifest in the form of cyber-physical production systems. Here, Digital Shadows will act as mediators between the physical and digital world to model and operationalize the interactions and relationships between different entities in production systems. Until now, the associated concepts have been primarily pursued and implemented from a technocentric perspective, in which human actors play a subordinate role, if they are considered at all. This paper outlines an anthropocentric approach that explicitly considers the characteristics, behavior, and traits and states of human actors in socio-technical production systems. For this purpose, we discuss the potentials and the expected challenges and threats of creating and using Human Digital Shadows in production.
Mertens, Alexander ; Pütz, Sebastian ; Brauner, Philipp ; Brillowski, Florian Sascha ; Buczak, Nadine ; Dammers, Hannah ; van Dyck, Marc ; Kong, Iris ; Königs, Peter ; Kortomeikel, Frauke Carole ; Rodemann, Niklas ; Schaar, Anne Kathrin ; Steuer-Dankert, Linda ; Wlecke, Shari ; Gries, Thomas ; Leicht-Scholten, Carmen ; Nagel, Saskia K. ; Piller, Frank Thomas ; Schuh, Günther ; Ziefle, Martina ; Nitsch, Verena
Digital Shadows as the aggregation, linkage and abstraction of data relating to physical objects are a central vision for the future of production. However, the majority of current research takes a technocentric approach, in which the human actors in production play a minor role. Here, the authors present an alternative anthropocentric perspective that highlights the potential and main challenges of extending the concept of Digital Shadows to humans. Following future research methodology, three prospections that illustrate use cases for Human Digital Shadows across organizational and hierarchical levels are developed: human-robot collaboration for manual work, decision support and work organization, as well as human resource management. Potentials and challenges are identified using separate SWOT analyses for the three prospections and common themes are emphasized in a concluding discussion.
RaWid was the German national technology programme on transonic aerodynamics and supporting technologies, lasting from 1995 to 1998. One of the main topics was laminar wing development. Besides aerodynamic design work, many operational aspects were investigated. A manufacturing concept was developed to be applied to operational laminar wings and empennages. It was built in a large scale manufacturing demonstrator with the aerodynamic shape of a 1,5 m section of the A320 fin nose. Tolerances in shape and roughness fulfilled all requirements. The construction can easily be adapted to varying stiffness and strength requirements. Weight and manufacturing costs are comparable to common nose designs. The mock-up to be designed in ALTTA is based on this manufacturing principle. Another critical point is contamination of suction surfaces. Several tests were performed to investigate perforated titanium suction surfaces at realistic operational conditions: - a one year flight test with a suction plate in the stagnation area of the Airbus "Beluga" - a one year test of several suction plates in a ground test near the airport - a one year test of a working suction ground test installation at all weather conditions. No critical results were found. There is no long term suction degradation visible. Icing conditions and ground de-icing fluids used on airports did not pose severe problems. Some problems detected require only respection of weak design constraints.
In the preceeding chapters on “Son of Concorde, a Technology Challenge” and “Aerodynamic Multipoint Design Challenge” it was explained, that a well balanced contribution of new technologies in all major disciplines is required for realisation of a new Supersonic Commercial Transport (SCT). One of these technologies - usually one of the most important for aircraft-is aerodynamics. Here, the required “pure” aerodynamic technologies are specified in more detail, according to our present knowledge. Increasing insight into the problems may change the balance of importance of the individual technologies and may require some more contributions. We must never confine our knowledge to the knowledge base of an expert at a given time, but must stay open for new insights.
Since certification of Concorde new certification standards were introduced including many new regulations to improve flight safety. Most of these standards are to prevent severe accidents in the future which happened in the past (here: after Concorde’s certification). A new SCT has to fulfill these standards, although Concorde had none of these accidents. But accidents - although they sometimes occurred only for a specific aircraft type - have to be avoided for any (new) aircraft. Because of existing aircraft without typical accident types having demonstrated their reliability, they are allowed to go on based on their old certification; although sometimes new rules prevent accident types which are not connected to specific aircraft types - like e.g. evacuation rules. Anyway, Concorde is allowed to fly based on its old certification, and hopefully in the future will fly as safely as in the past. But a new SCT has to fulfill updated rules like any other aircraft, and it has to be “just another aircraft” [75].
Supersonic laminar flow
(1997)
Supersonic transports are very drag sensitive. Technology to reduce drag by application of laminar flow, therefore, will be important; it is a prerequisite to achieve very long range capability. In earlier studies it was assumed that SCTs would only become possible by application of laminar flow [376]. But today, we request an SCT to be viable without application of laminar flow in order to maintain its competitiveness when laminar flow becomes available for subsonic and supersonic transports. By reducing fuel burned, laminar flow drag reduction reduces size and weight of the aircraft, or increases range capability -whereas otherwise size and weight would grow towards infinity. Transition mechanisms from laminar to turbulent state of the boundary layer flow (ALT, CFI, TSI) function as for transonic transports, but at more severe conditions: higher sweep angles, cooled surfaces; higher mode instabilities (HMI) must at least be taken into account, although they may not become important below Mach 3. Hitherto there is a worldwide lack of ground test facilities to investigate TSI at the expected cruise Mach numbers between 1.6 and 2.4; in Stuttgart, Germany one such facility -a Ludwieg tube- is still in the validation phase. A quiet Ludwieg tunnel could be a favourable choice for Europe. But it will require a new approach in designing aircraft which includes improved theoretical predictions, usage of classical wind tunnels for turbulent flow and flight tests for validation.
Concorde (Figure 9) is the only supersonic airliner which has been introduced into regular passenger service. It is still in service at British Airways and Air France without any flight accidents, and probably will stay in service for at least for ten more years.
In the chapter “Son of Concorde, a Technology Challenge” one of the new challenges for a Supersonic Commercial Transport (SCT) is multi-point design for the four main design points:
- supersonic cruise
- transonic cruise
- take-off and landing
- transonic acceleration.
The technology programme “Reduction of aerodynamic drag (RaWid)” for high speed aerodynamics at Daimler-Benz Aerospace Airbus is sponsered by the German ministry for education, research and technology since July 1, 1995. Connected to this industrial programme are the cooperation programmes “MEGAFLOW” under leadership of the DLR and “Transition” by the DFG, and several contributions by DLR and universities.
The programme is oriented towards technologies required for a MEGALINER which gains momentum by the ambitious plans for a new large Airbus A3XX.
In the first year new technological steps were undertaken in theory, design and experiment. Some critical steps were verified by wing designs checked in wind tunnel tests.
Today the most accurate and cost effective industrial codes used in aircraft design are based on the full potential equation coupled with boundary layer equations. However, these are not capable to solve complicated three-dimensional problems of vortical flows and shocks. On the other hand Euler and Navier-Stokes codes are too expensive and not accurate enough for design purposes, especially in regard of drag and interference prediction. The reasons for these deficiencies are investigated and a way to overcome them by future developments is demonstrated.
Wind loads have great impact on many engineering structures. Wind storms often cause irreparable damage to the buildings which are exposed to it. Along with the earthquakes, wind represents one of the most common environmental load on structures and is relevant for limit state design. Modern wind codes indicate calculation procedures allowing engineers to deal with structural systems, which are susceptible to conduct wind-excited oscillations. In the codes approximate formulas for wind buffeting are specified which relate the dynamic problem to rather abstract parameter functions. The complete theory behind is not visible in order to simplify the applicability of the procedures. This chapter derives the underlying basic relations of the spectral method for wind buffeting and explains the main important applications of it in order to elucidate part of the theoretical background of computations after the new codes. The stochasticity of the wind processes is addressed, and the analysis of analytical as well as measurement based power spectra is outlined. Short MATLAB codes are added to the Appendix 3 which carry out the computation of a single sided auto-spectrum from a statistically stationary, discrete stochastic process. Two examples are presented.
Kyphoplasty of Osteoporotic Fractured Vertebrae: A Finite Element Analysis about Two Types of Cement
(2019)
Meyer, Carolin ; Gaalen, Kerstin van ; Leschinger, Tim ; Scheyerer, Max J. ; Neiss, Wolfram F. ; Staat, Manfred ; Müller, Lars-Peter ; Wegmann, Kilian
Meyer, Max-Arno ; Granrath, Christian ; Feyerl, Günter ; Richenhagen, Johannes ; Kaths, Jakob ; Andert, Jakob
Michalak, Ewa Malgorzata ; Nacerddine, Karim ; Pietersen, Alexandra ; Beuger, Vincent ; Pawlitzky, Inka ; Cornelissen-Steijger, Paulien ; Wientjens, Ellen ; Tanger, Ellen ; Seibler, Jost ; Lohuizen, Maarten van ; Jonkers, Jos
This work demonstrates how the interaction between particle image velocimetry (PIV) and robotics can massively increase measurement efficiency. The interdisciplinary approach is shown using the complex example of an automated, large scale, industrial environment: a typical automotive wind tunnel application. Both the high degree of flexibility in choosing the measurement region and the complete automation of stereo PIV measurements are presented. The setup consists of a combination of three robots, individually used as a 6D traversing unit for the laser illumination system as well as for each of the two cameras. Synchronised movements in the same reference frame are realised through a master-slave setup with a single interface to the user. By integrating the interface into the standard wind tunnel management system, a single measurement plane or a predefined sequence of several planes can be requested through a single trigger event, providing the resulting vector fields within minutes.
In this paper, a brief overview on the demands of large scale industrial PIV and the existing solutions is given. Afterwards, the concept of RoboPIV is introduced as a new approach. In a first step, the usability of a selection of commercially available robot arms is analysed. The challenges of pose uncertainty and importance of absolute accuracy are demonstrated through comparative measurements, explaining the individual pros and cons of the analysed systems. Subsequently, the advantage of integrating RoboPIV directly into the existing wind tunnel management system is shown on basis of a typical measurement sequence. In a final step, a practical measurement procedure, including post-processing, is given by using real data and results. Ultimately, the benefits of high automation are demonstrated, leading to a drastic reduction in necessary measurement time compared to non-automated systems, thus massively increasing the efficiency of PIV measurements.
The use of industrial robots allows the precise manipulation of all components necessary for setting up a large-scale particle image velocimetry (PIV) system. The known internal calibration matrix of the cameras in combination with the actual pose of the industrial robots and the calculated transform from the fiducial markers to camera coordinates allow the precise positioning of the individual PIV components according to the measurement demands. In addition, the complete calibration procedure for generating the external camera matrix and the mapping functions for e.g. dewarping the stereo images can be automatically determined without further user interaction and thus the degree of automation can be extended to nearly 100%. This increased degree of automation expands the applications range of PIV systems, in particular for measurement tasks with severe time constraints.
In recent years, many onshore wind turbines are erected in seismic active regions and on soils with poor load bearing capacity, where pile grids are inevitable to transfer the loads into the ground. In this contribution, a realistic multi pile grid is designed to analyze the dynamics of a wind turbine tower including frequency dependent soil-structure-interaction. It turns out that different foundations on varying soil configurations heavily influence the vibration response. While the vibration amplitude is mostly attenuated, certain unfavorable combinations of structure and soil parameters lead to amplification in the range of the system's natural frequencies. This testifies the need for overall dynamic analysis in the assessment of the dynamic stability and the holistic frequency tuning of the turbines.
Frequency Dependent Impedance Analysis of the Foundation-Soil-Systems of Onshore Wind Turbines
(2018)
A further development of the Added-Mass-Method allows the combined representation of the effects of both soil-structure-interaction and fluid-structure interaction on a liquid-filled-tank in one model. This results in a practical method for describing the dynamic fluid pressure on the tank shell during joint movement. The fluid pressure is calculated on the basis of the tank's eigenform and the earthquake acceleration and represented by additional masses on the shell. The bearing on compliant ground is represented by replacement springs, which are calculated dependent on the local soil composition. The influence of the shear modulus of the compliant soil is clearly visible in the pressure curves and the stress distribution in the shell. The acceleration spectra are also dependent on soil stiffness. According to Eurocode-8 the acceleration spectra are determined for fixed soil-classes, instead of calculating the accelerations for each site in direct dependence on the soil composition. This leads to unrealistic sudden changes in the system's response. Therefore, earthquake spectra are calculated for different soil models in direct dependence of the shear modulus. Thus, both the acceleration spectra and the replacement springs match the soil composition. This enables a reasonable and consistent calculation of the system response for the actual conditions at each site.
Optical coherence tomography : a potential tool to predict premature rupture of fetal membranes
(2013)
Micili, Serap C. ; Valter, Markus ; Oflaz, Hakan ; Ozogul, Candan ; Linder, Peter ; Föckler, Nicole ; Artmann, Gerhard ; Digel, Ilya ; Temiz Artmann, Aysegül
Air-pulse corneal applanation signal curve parameters for the characterisation of keratoconus
(2011)
Mikucki, Jill Ann ; Schuler, C. G. ; Digel, Ilya ; Kowalski, Julia ; Tuttle, M. J. ; Chua, Michelle ; Davis, R. ; Purcell, Alicia ; Ghosh, D. ; Francke, G. ; Feldmann, Marco ; Espe, C. ; Heinen, Dirk ; Dachwald, Bernd ; Clemens, Joachim ; Lyons, W. B. ; Tulaczyk, S.
Subglacial environments on Earth offer important analogs to Ocean World targets in our solar system. These unique microbial ecosystems remain understudied due to the challenges of access through thick glacial ice (tens to hundreds of meters). Additionally, sub-ice collections must be conducted in a clean manner to ensure sample integrity for downstream microbiological and geochemical analyses. We describe the field-based cleaning of a melt probe that was used to collect brine samples from within a glacier conduit at Blood Falls, Antarctica, for geomicrobiological studies. We used a thermoelectric melting probe called the IceMole that was designed to be minimally invasive in that the logistical requirements in support of drilling operations were small and the probe could be cleaned, even in a remote field setting, so as to minimize potential contamination. In our study, the exterior bioburden on the IceMole was reduced to levels measured in most clean rooms, and below that of the ice surrounding our sampling target. Potential microbial contaminants were identified during the cleaning process; however, very few were detected in the final englacial sample collected with the IceMole and were present in extremely low abundances (∼0.063% of 16S rRNA gene amplicon sequences). This cleaning protocol can help minimize contamination when working in remote field locations, support microbiological sampling of terrestrial subglacial environments using melting probes, and help inform planetary protection challenges for Ocean World analog mission concepts.
Mikulics, M. ; Adam, R. ; Kordos, P. ; Förster, Arnold ; Lüth, H. ; Wu, S. ; Zheng, X. ; Sobolewski, R.
Mikulics, M. ; Camara, I. ; Hardt, A. van der ; Fox, A. ; Förster, Arnold ; Gusten, R. ; Lüth, H. ; Kordos, P.
Mikulics, M. ; Marso, M. ; Cámara Mayorga, I. ; Gusten, R. ; Stancek, S. ; Michael, E. A. ; Schieder, R. ; Wolter, M. ; Buca, D. ; Förster, Arnold ; Kordos, P. ; Lüth, H.
Experimental investigation of behaviour of masonry infilled RC frames under out-of-plane loading
(2021)
Masonry infills are commonly used as exterior or interior walls in reinforced concrete (RC) frame structures and they can be encountered all over the world, including earthquake prone regions. Since the middle of the 20th century the behaviour of these non-structural elements under seismic loading has been studied in numerous experimental campaigns. However, most of the studies were carried out by means of in-plane tests, while there is a lack of out-of-plane experimental investigations. In this paper, the out-of-plane tests carried out on full scale masonry infilled frames are described. The results of the out-of-plane tests are presented in terms of force-displacement curves and measured out-of-plane displacements. Finally, the reliability of existing analytical approaches developed to estimate the out-of-plane strength of masonry infills is examined on presented experimental results.
Milijaš, Aleksa ; Šakić, Bogdan ; Marinković, Marko ; Butenweg, Christoph ; Gams, Matija ; Klinkel, Sven
Masonry infill walls are the most traditional enclosure system that is still widely used in RC frame buildings all over the world, particularly in seismic active regions. Although infill walls are usually neglected in seismic design, during an earthquake event they are subjected to in-plane and out-of-plane forces that can act separately or simultaneously. Since observations of damage to buildings after recent earthquakes showed detrimental effects of in-plane and out-of-plane load interaction on infill walls, the number of studies that focus on influence of in-plane damage on out-of-plane response has significantly increased. However, most of the xperimental campaigns have considered only solid infills and there is a lack of combined in-plane and out-of-plane experimental tests on masonry infills with openings, although windows and doors strongly affect seismic performance. In this paper, two types of experimental tests on infills with window openings are presented. The first is a pure out-of-plane test and the second one is a sequential in-plane and out-of-plane test aimed at investigating the effects of existing in-plane damage on outof-plane response. Additionally, findings from two tests with similar load procedure that were carried out on fully infilled RC frames in the scope of the same project are used for comparison. Test results clearly show that window opening increased vulnerability of infills to combined seismic actions and that prevention of damage in infills with openings is of the utmost importance for seismic safety.
Seismic behavior of an existing unreinforced masonry building built pre-modern code, located in the City of Ohrid, Republic of North Macedonia has been investigated in this paper. The analyzed school building is selected as an archetype in an ongoing project named “Seismic vulnerability assessment of existing masonry structures in Republic of North Macedonia (SeismoWall)”. Two independent segments were included in this research: Seismic hazard assessment by creating a cite specific response spectra and Seismic vulnerability definition by creating a region - specific series of vulnerability curves for the chosen building topology. A reliable Seismic Hazard Assessment for a selected region is a crucial point for performing a seismic risk analysis of a characteristic building class. In that manner, a scenario – based method that incorporates together the knowledge of tectonic style of the considered region, the active fault characterization, the earth crust model and the historical seismicity named Neo Deterministic approach is used for calculation of the response spectra for the location of the building. Variations of the rupturing process are taken into account in the nucleation point of the rupture, in the rupture velocity pattern and in the istribution of the slip on the fault. The results obtained from the multiple scenarios are obtained as an envelope of the response spectra computed for the cite using the procedure Maximum Credible Seismic Input (MCSI). Capacity of the selected building has been determined by using nonlinear static analysis. MINEA software (SDA Engineering) was used for verification of the structural safety of the chosen unreinforced masonry structure. In the process of optimization of the number of samples, computational cost required in a Monte Carlo simulation is significantly reduced since the simulation is performed on a polynomial response surface function for prediction of the structural response. Performance point, found as the intersection of the capacity of the building and the spectra used, is chosen as a response parameter. Five levels of damage limit states based on the capacity curve of the building are defined in dependency on the yield displacement and the maximum displacement. Maximum likelihood estimation procedure is utilized in the process of vulnerability curves determination. As a result, region specific series of vulnerability curves for the chosen type of masonry structures are defined. The obtained probabilities of exceedance a specific damage states as a result from vulnerability curves are compared with the observed damages happened after the earthquake in July 2017 in the City of Ohrid, North Macedonia.
Seismic vulnerability estimation of existing structures is unquestionably interesting topic of high priority, particularly after earthquake events. Having in mind the vast number of old masonry buildings in North Macedonia serving as public institutions, it is evident that the structural assessment of these buildings is an issue of great importance. In this paper, a comprehensive methodology for the development of seismic fragility curves of existing masonry buildings is presented. A scenario – based method that incorporates the knowledge of the tectonic style of the considered region, the active fault characterization, the earth crust model and the historical seismicity (determined via the Neo Deterministic approach) is used for calculation of the necessary response spectra. The capacity of the investigated masonry buildings has been determined by using nonlinear static analysis. MINEA software (SDA Engineering) is used for verification of the structural safety of the structures Performance point, obtained from the intersection of the capacity of the building and the spectra used, is selected as a response parameter. The thresholds of the spectral displacement are obtained by splitting the capacity curve into five parts, utilizing empirical formulas which are represented as a function of yield displacement and ultimate displacement. As a result, four levels of damage limit states are determined. A maximum likelihood estimation procedure for the process of fragility curves determination is noted as a final step in the proposed procedure. As a result, region specific series of vulnerability curves for structures are defined.
Quartz crystal nanobalance (QCN) sensors are considered as powerful masssensitive sensors to determine materials in the sub-nanogram level. In this study, a single piezoelectric quartz crystal nanobalance modified with polystyrene was employed to detect benzene, toluene, ethylbenzene and xylene (BTEX compounds). The frequency shift of the QCN sensor was found to be linear against the BTEX compound concentrations in the range about 1-45 mg l-1. The correlation coefficients for benzene, toluene, ethylbenzene, and xylene were 0.991, 0.9977, 0.9946 and 0.9971, respectively. The principal component analysis was also utilized to process the frequency response data of the single piezoelectric crystal at different times, considering to the different adsorption-desorption dynamics of BTEX compounds. Using principal component analysis, it was found that over 90% of the data variance could still be explained by use of two principal components (PC1 and PC2). Subsequently, the successful identification of benzene and toluene was possible through the principal component analysis of the transient responses of the polystyrene modified QCN sensor. The results showed that the polystyrene-modified QCN had favorable identification and quantification performances for the BTEX compounds.
Miyamato, Ko-ichiro ; Sakakita, Sakura ; Wagner, Torsten ; Schöning, Michael Josef ; Yoshinobu, Tatsuo
The chemical imaging sensor was applied to in-situ pH imaging of the solution in the vicinity of a corroding surface of stainless steel under potentiostatic polarization. A test piece of polished stainless steel was placed on the sensing surface leaving a narrow gap filled with artificial seawater and the stainless steel was corroded under polarization. The pH images obtained during polarization showed correspondence between the region of lower pH and the site of corrosion. It was also found that the pH value in the gap became as low as 2 by polarization, which triggered corrosion.
The chemical imaging sensor is a chemical sensor which is capable of visualizing the spatial distribution of chemical species in sample solution. In this study, a novel measurement system based on the chemical imaging sensor was developed to observe the inside of a Y-shaped microfluidic channel while injecting two sample solutions from two branches. From the collected chemical images, it was clearly observed that the injected solutions formed laminar flows in the microfluidic channel. In addition, ion diffusion across the laminar flows was observed. This label-free method can acquire quantitative data of ion distribution and diffusion in microfluidic devices, which can be used to determine the diffusion coefficients, and therefore, the molecular weights of chemical species in the sample solution.
Miyamoto, K. ; Kuwabara, Yohei ; Kanoh, Shin'ichiro ; Yoshinobu, Tatsuo ; Wagner, Torsten ; Schöning, Michael Josef
The chemical imaging sensor, which is based on the principle of the light-addressable potentiometric sensor (LAPS), is a powerful tool to visualize the spatial distribution of chemical species on the sensor surface. The spatial resolution of this sensor depends on the diffusion of photocarriers excited by a modulated light. In this study, a novel hybrid fiber-optic illumination was developed to enhance the spatial resolution. It consists of a modulated light probe to generate a photocurrent signal and a ring of constant light, which suppresses the lateral diffusion of minority carriers excited by the modulated light. It is demonstrated that the spatial resolution was improved from 92 μm to 68 μm.
The chemical imaging sensor is a field-effect sensor which is able to visualize both the distribution of ions (in LAPS mode) and the distribution of impedance (in SPIM mode) inthe sample. In this study, a novel wound-healing assay is proposed, in which the chemical imaging sensor operated in SPIM mode is applied to monitor the defect of a cell layer brought into proximity of the sensing surface.A reduced impedance inside the defect, which was artificially formed ina cell layer, was successfully visualized in a photocurrent image.
A high-Q resonance-mode measurement of EIS capacitive sensor by elimination of series resistance
(2017)
Miyamoto, Ko-ichiro ; Hayashi, Kosuke ; Sakamoto, Azuma ; Werner, Frederik ; Wagner, Torsten ; Schöning, Michael Josef ; Yoshinobu, Tatsuo
An EIS capacitive sensor is a semiconductor-based potentiometric sensor, which is sensitive to the ion concentration or pH value of the solution in contact with the sensing surface. To detect a small change in the ion concentration or pH, a small capacitance change must be detected. Recently, a resonance-mode measurement was proposed, in which an inductor was connected to the EIS capacitive sensor and the resonant frequency was correlated with the pH value. In this study, the Q factor of the resonant circuit was enhanced by canceling the internal resistance of the reference electrode and the internal resistance of the inductor coil with the help of a bypass capacitor and a negative impedance converter, respectively. 1% variation of the signal in the developed system corresponded to a pH change of 3.93 mpH, which was about 1/12 of the conventional method, suggesting a better performance in detection of a small pH change.
Miyamoto, Ko-ichiro ; Hirayama, Yuji ; Wagner, Torsten ; Schöning, Michael Josef ; Yoshinobu, Tatsuo
Miyamoto, Ko-ichiro ; Ichimura, Hiroki ; Wagner, Torsten ; Schöning, Michael Josef ; Yoshinobu, Tatsuo
The chemical imaging sensor is a device to visualize the spatial distribution of chemical species based on the principle of LAPS (light-addressable potentiometric sensor), which is a field-effect chemical sensor based on semiconductor. In this study, the chemical imaging sensor has been applied to investigate the ion profile of laminar flows in a microfluidic channel. The chemical images (pH maps) were collected in a Y-shaped microfluidic channel while injecting HCl and NaCl solutions into two branches. From the chemical images, it was clearly observed that the injected solutions formed laminar flows in the channel. In addition, ion diffusion across the laminar flows was observed, and the diffusion coefficient could be derived by fitting the pH profiles to the Fick's equation.
Miyamoto, Ko-ichiro ; Itabashi, Akinori ; Wagner, Torsten ; Schöning, Michael Josef ; Yoshinobu, Tatsuo
In this study, a high-speed chemical imaging system was developed for visualization of the interior of a microfluidic channel. A microfluidic channel was constructed on the sensor surface of the light-addressable potentiometric sensor (LAPS), on which the ion concentrations could be measured in parallel at up to 64 points illuminated by optical fibers. The temporal change of pH distribution inside the microfluidic channel was recorded at a maximum rate of 100 frames per second (fps). The high frame rate allowed visualization of moving interfaces and plugs in the channel even at a flow velocity of 111 mm/s, which suggests the feasibility of plug-based microfluidic devices for flow-injection analysis (FIA).
Miyamoto, Ko-ichiro ; Kaneko, Kazumi ; Matsuo, Akira ; Wagner, Torsten ; Kanoh, Shin`ichiro ; Schöning, Michael Josef ; Yoshinobu, Tatsuo
The chemical imaging sensor is a semiconductor-based chemical sensor that can visualize the two-dimensional distribution of specific ions or molecules in the solution. In this study, we developed a miniaturized chemical imaging sensor system with an OLED display panel as a light source that scans the sensor plate. In the proposed configuration, the display panel is placed directly below the sensor plate and illuminates the back surface. The measured area defined by illumination can be arbitrarily customized to fit the size and the shape of the sample to be measured. The waveform of the generated photocurrent, the currentvoltage characteristics and the pH sensitivity were investigated and pH imaging with this miniaturized system was demonstrated.
Miyamoto, Ko-ichiro ; Kaneko, Kazumi ; Matsuo, Akira ; Wagner, Torsten ; Kanoh, Shiníchiro ; Schöning, Michael Josef ; Yoshinobu, Tatsuo
The chemical imaging sensor is a semiconductor-based chemical sensor that can visualize the two-dimensional distribution of specific ions or molecules in the solution. In this study, we developed a miniaturized chemical imaging sensor system with an OLED display panel as a light source that scans the sensor plate. In the proposed configuration, the display panel is placed directly below the sensor plate and illuminates the back surface. The measured area defined by illumination can be arbitrarily customized to fit the size and the shape of the sample to be measured. The waveform of the generated photocurrent, the current–voltage characteristics and the pH sensitivity were investigated and pH imaging with this miniaturized system was demonstrated.
Light-addressable potentiometric sensor as a sensing element in plug-based microfluidic devices
(2016)
Miyamoto, Ko-Ichiro ; Sato, Takuya ; Abe, Minami ; Wagner, Torsten ; Schöning, Michael Josef ; Yoshinobu, Tatsuo
A plug-based microfluidic system based on the principle of the light-addressable potentiometric sensor (LAPS) is proposed. The LAPS is a semiconductor-based chemical sensor, which has a free addressability of the measurement point on the sensing surface. By combining a microfluidic device and LAPS, ion sensing can be performed anywhere inside the microfluidic channel. In this study, the sample solution to be measured was introduced into the channel in a form of a plug with a volume in the range of microliters. Taking advantage of the light-addressability, the position of the plug could be monitored and pneumatically controlled. With the developed system, the pH value of a plug with a volume down to 400 nL could be measured. As an example of plug-based operation, two plugs were merged in the channel, and the pH change was detected by differential measurement.
Miyamoto, Ko-ichiro ; Sugawara, Yuri ; Kanoh, Shin´ichiro ; Yoshinobu, Tatsuo ; Wagner, Torsten ; Schöning, Michael Josef
The chemical imaging sensor is a semiconductor-based chemical sensor that can visualize the spatial distribution of chemical species. For the practical application of this sensor, artifacts in the chemical images due to defects of the semiconductor substrate and contamination of the sensing surface etc. have been a major problem. An image correction method was developed to eliminate the influence of nonuniformity of individual sensor plate.
Miyamoto, Ko-ichiro ; Suto, Takeyuki ; Werner, Frederik ; Wagner, Torsten ; Schöning, Michael Josef ; Yoshinobu, Tatsuo
Miyamoto, Ko-ichiro ; Wagner, Torsten ; Mimura, Shuhei ; Kanoh, Shin`ichiro ; Yoshinobu, Tatsuo ; Schöning, Michael Josef
Miyamoto, Ko-ichiro ; Wagner, Torsten ; Mimura, Shuhei ; Kanoh, Shiníchiro ; Yoshinobu, Tatsuo ; Schöning, Michael Josef
Miyamoto, Ko-ichiro ; Wagner, Torsten ; Yoshinobu, Tatsuo ; Kanoh, Shin`ichiro ; Schöning, Michael Josef
Miyamoto, Ko-ichiro ; Wagner, Torsten ; Yoshinobu, Tatsuo ; Kanoh, Shin`ichiro ; Schöning, Michael Josef
Miyamoto, Ko-ichiro ; Yoshida, Midori ; Sakai, Taito ; Matsuzaka, Atsushi ; Wagner, Torsten ; Kanoh, Sanoh ; Yoshinobu, Tatsuo ; Schöning, Michael Josef
Miyamoto, Koichiro ; Seki, Kosuke ; Suto, Takeyuki ; Werner, Frederik ; Wagner, Torsten ; Schöning, Michael Josef ; Yoshinobu, Tatsuo
The chemical imaging sensor is a semiconductor-based chemical sensor capable of visualizing pH and ion distributions. The spatial resolution depends on the lateral diffusion of photocarriers generated by illumination of the semiconductor substrate. In this study, two types of optical setups, one based on a bundle of optical fibers and the other based on a binocular tube head, were developed to project a hybrid illumination of a modulated light beam and a ring-shaped constant illumination onto the sensor plate. An improved spatial resolution was realized by the ring-shaped constant illumination, which suppressed lateral diffusion of photocarriers by enhanced recombination due to the increased carrier concentration.
Even though BIM (Building Information Modelling) is successfully implemented in most of the world, it is still in the early stages in Germany, since the stakeholders are sceptical of its reliability and efficiency. The purpose of this paper is to analyse the opportunities and obstacles to implementing BIM for prefabrication. Among all other advantages of BIM, prefabrication is chosen for this paper because it plays a vital role in creating an impact on the time and cost factors of a construction project. The project stakeholders and participants can explicitly observe the positive impact of prefabrication, which enables the breakthrough of the scepticism factor among the small-scale construction companies. The analysis consists of the development of a process workflow for implementing prefabrication in building construction followed by a practical approach, which was executed with two case studies. It was planned in such a way that, the first case study gives a first-hand experience for the workers at the site on the BIM model so that they can make much use of the created BIM model, which is a better representation compared to the traditional 2D plan. The main aim of the first case study is to create a belief in the implementation of BIM Models, which was succeeded by the execution of offshore prefabrication in the second case study. Based on the case studies, the time analysis was made and it is inferred that the implementation of BIM for prefabrication can reduce construction time, ensures minimal wastes, better accuracy, less problem-solving at the construction site. It was observed that this process requires more planning time, better communication between different disciplines, which was the major obstacle for successful implementation. This paper was carried out from the perspective of small and medium-sized mechanical contracting companies for the private building sector in Germany.
Multi-enzyme immobilization onto a capacitive field-effect biosensor by nano-spotting technique is presented. The nano-spotting technique allows to immobilize different enzymes simultaneously on the sensor surface with high spatial resolution without additional photolithographical patterning. The amount of applied enzymatic cocktail on the sensor surface can be tailored. Capacitive electrolyte-insulator-semiconductor (EIS) field-effect sensors with Ta2O5 as pH-sensitive transducer layer have been chosen to immobilize the three different (pL droplets) enzymes penicillinase, urease, and glucose oxidase. Nano-spotting immobilization is compared to conventional drop-coating method by defining different geometrical layouts on the sensor surface (fully, half-, and quarter-spotted). The drop diameter is varying between 84 µm and 102 µm, depending on the number of applied drops (1 to 4) per spot. For multi-analyte detection, penicillinase and urease are simultaneously nano-spotted on the EIS sensor. Sensor characterization was performed by C/V (capacitance/voltage) and ConCap (constant capacitance) measurements. Average penicillin, glucose, and urea sensitivities for the spotted enzymes were 81.7 mV/dec, 40.5 mV/dec, and 68.9 mV/dec, respectively.
Molinnus, Denise ; Bäcker, Matthias ; Iken, Heiko ; Poghossian, Arshak ; Keusgen, Michael ; Schöning, Michael Josef
A concept for a new generation of an integrated multi-functional biosensor/actuator system is developed, which is based on biomolecular logic principles. Such a system is expected to be able to detect multiple biochemical input signals simultaneously and in real-time and convert them into electrical output signals with logical operations such as OR, AND, etc. The system can be designed as a closed-loop drug release device triggered by an enzyme logic gate, while the release of the drug induced by the actuator at the required dosage and timing will be controlled by an additional drug sensor. Thus, the system could help to make an accurate and specific diagnosis. The presented concept is exemplarily demonstrated by using an enzyme logic gate based on a glucose/glucose oxidase system, a temperature-responsive hydrogel mimicking the actuator function and an insulin (drug) sensor. In this work, the results of functional testing of individual amperometric glucose and insulin sensors as well as an impedimetric sensor for the detection of the hydrogel swelling/shrinking are presented.
Molinnus, Denise ; Bäcker, Matthias ; Siegert, Petra ; Willenberg, H. ; Poghossian, Arshak ; Keusgen, M. ; Schöning, Michael Josef
An amperometric enzyme biosensor has been applied for the detection of adrenaline. The adrenaline biosensor has been prepared by modification of an oxygen electrode with the enzyme laccase that operates at a broad pH range between pH 3.5 to pH 8. The enzyme molecules were immobilized via cross-linking with glutaraldehyde. The sensitivity of the developed adrenaline biosensor in different pH buffer solutions has been studied.
Molinnus, Denise ; Drinic, Aleksander ; Iken, Heiko ; Kröger, Nadja ; Zinser, Max ; Smeets, Ralf ; Köpf, Marius ; Kopp, Alexander ; Schöning, Michael Josef
Molinnus, Denise ; Hardt, G. ; Käver, L. ; Willenberg, H.S. ; Kröger, J.-C. ; Poghossian, Arshak ; Keusgen, Michael ; Schöning, Michael Josef
A chip-based amperometric biosensor referring on using the bioelectrocatalytical amplification principle for the detection of low adrenaline concentrations is presented. The adrenaline biosensor has been prepared by modification of a platinum thin-film electrode with an enzyme membrane containing the pyrroloquinoline quinone-dependent glucose dehydrogenase and glutaraldehyde. Measuring conditions such as temperature, pH value, and glucose concentration have been optimized to achieve a high sensitivity and a low detection limit of about 1 nM adrenaline measured in phosphate buffer at neutral pH value. The response of the biosensor to different catecholamines has also been proven. Long-term stability of the adrenaline biosensor has been studied over 10 days. In addition, the biosensor has been successfully applied for adrenaline detection in human blood plasma for future biomedical applications. Furthermore, preliminary experiments have been carried to detect the adrenaline-concentration difference measured in peripheral blood and adrenal venous blood, representing the adrenal vein sampling procedure of a physician.
Detection of Adrenaline Based on Bioelectrocatalytical System to Support Tumor Diagnostic Technology
(2017)
Molinnus, Denise ; Hardt, Gabriel ; Käver, Larissa ; Willenberg, Holger S. ; Poghossian, Arshak ; Keusgen, Michael ; Schöning, Michael Josef
Molinnus, Denise ; Hardt, Gabriel ; Siegert, Petra ; Willenberg, Holger S. ; Poghossian, Arshak ; Keusgen, Michael ; Schöning, Michael Josef
An amperometric bi-enzyme biosensor based on substrate recycling principle for the amplification of the sensor signal has been developed for the detection of adrenaline in blood. Adrenaline can be used as biomarker verifying successful adrenal venous sampling procedure. The adrenaline biosensor has been realized via modification of a galvanic oxygen sensor with a bi-enzyme membrane combining a genetically modified laccase and a pyrroloquinoline quinone-dependent glucose dehydrogenase. The measurement conditions such as pH value and temperature were optimized to enhance the sensor performance. A high sensitivity and a low detection limit of about 0.5–1 nM adrenaline have been achieved in phosphate buffer at pH 7.4, relevant for measurements in blood samples. The sensitivity of the biosensor to other catecholamines such as noradrenaline, dopamine and dobutamine has been studied. Finally, the sensor has been successfully applied for the detection of adrenaline in human blood plasma.
Molinnus, Denise ; Iken, Heiko ; Johnen, Anna Lynn ; Richstein, Benjamin ; Hellmich, Lena ; Poghossian, Arshak ; Knoch, Joachim ; Schöning, Michael Josef
Miniaturized electrolyte–insulator–semiconductor capacitors (EISCAPs) with ultrathin gate insulators have been studied in terms of their pH-sensitive sensor characteristics: three different EISCAP systems consisting of Al–p-Si–Ta2O5(5 nm), Al–p-Si–Si3N4(1 or 2 nm)–Ta2O5 (5 nm), and Al–p-Si–SiO2(3.6 nm)–Ta2O5(5 nm) layer structures are characterized in buffer solution with different pH values by means of capacitance–voltage and constant capacitance method. The SiO2 and Si3N4 gate insulators are deposited by rapid thermal oxidation and rapid thermal nitridation, respectively, whereas the Ta2O5 film is prepared by atomic layer deposition. All EISCAP systems have a clear pH response, favoring the stacked gate insulators SiO2–Ta2O5 when considering the overall sensor characteristics, while the Si3N4(1 nm)–Ta2O5 stack delivers the largest accumulation capacitance (due to the lower equivalent oxide thickness) and a higher steepness in the slope of the capacitance–voltage curve among the studied stacked gate insulator systems.
Molinnus, Denise ; Janus, Kevin Alexander ; Fang, Anyelina C. ; Drinic, Aleksander ; Achtsnicht, Stefan ; Köpf, Marius ; Keusgen, Michael ; Schöning, Michael Josef
This study addresses a proof-of-concept experiment with a biocompatible screen-printed carbon electrode deposited onto a biocompatible and biodegradable substrate, which is made of fibroin, a protein derived from silk of the Bombyx mori silkworm. To demonstrate the sensor performance, the carbon electrode is functionalized as a glucose biosensor with the enzyme glucose oxidase and encapsulated with a silicone rubber to ensure biocompatibility of the contact wires. The carbon electrode is fabricated by means of thick-film technology including a curing step to solidify the carbon paste. The influence of the curing temperature and curing time on the electrode morphology is analyzed via scanning electron microscopy. The electrochemical characterization of the glucose biosensor is performed by amperometric/voltammetric measurements of different glucose concentrations in phosphate buffer. Herein, systematic studies at applied potentials from 500 to 1200 mV to the carbon working electrode (vs the Ag/AgCl reference electrode) allow to determine the optimal working potential. Additionally, the influence of the curing parameters on the glucose sensitivity is examined over a time period of up to 361 days. The sensor shows a negligible cross-sensitivity toward ascorbic acid, noradrenaline, and adrenaline. The developed biocompatible biosensor is highly promising for future in vivo and epidermal applications.
Molinnus, Denise ; Muschallik, Lukas ; Gonzalez, Laura Osorio ; Bongaerts, Johannes ; Wagner, Torsten ; Selmer, Thorsten ; Siegert, Petra ; Keusgen, Michael ; Schöning, Michael Josef
A capacitive electrolyte-insulator-semiconductor (EIS) field-effect biosensor for acetoin detection has been presented for the first time. The EIS sensor consists of a layer structure of Al/p-Si/SiO₂/Ta₂O₅/enzyme acetoin reductase. The enzyme, also referred to as butane-2,3-diol dehydrogenase from B. clausii DSM 8716T, has been recently characterized. The enzyme catalyzes the (R)-specific reduction of racemic acetoin to (R,R)- and meso-butane-2,3-diol, respectively. Two different enzyme immobilization strategies (cross-linking by using glutaraldehyde and adsorption) have been studied. Typical biosensor parameters such as optimal pH working range, sensitivity, hysteresis, linear concentration range and long-term stability have been examined by means of constant-capacitance (ConCap) mode measurements. Furthermore, preliminary experiments have been successfully carried out for the detection of acetoin in diluted white wine samples.
The integration of biomolecular logic principles with electronic transducers allows designing novel digital biosensors with direct electrical output, logically triggered drug-release, and closed-loop sense/act/treat systems. This opens new opportunities for advanced personalized medicine in the context of theranostics. In the present work, we will discuss selected examples of recent developments in the field of interfacing enzyme logic gates with electrodes and semiconductor field-effect devices. Special attention is given to an enzyme OR/Reset logic gate based on a capacitive field-effect electrolyte-insulator-semiconductor sensor modified with a multi-enzyme membrane. Further examples are a digital adrenaline biosensor based on an AND logic gate with binary YES/NO output and an integrated closed-loop sense/act/treat system comprising an amperometric glucose sensor, a hydrogel actuator, and an insulin (drug) sensor.
Molinnus, Denise ; Sorich, Maren ; Bartz, Alexander ; Siegert, Petra ; Willenberg, Holger S. ; Lisdat, Fred ; Poghossian, Arshak ; Keusgen, Michael ; Schöning, Michael Josef
An amperometric biosensor using a substrate recycling principle was realized for the detection of low adrenaline concentrations (1 nM) by measurements in phosphate buffer and Ringer’s solution at pH 6.5 and pH 7.4, respectively. In proof-of-concept experiments, a Boolean logic-gate principle has been applied to develop a digital adrenaline biosensor based on an enzyme AND logic gate. The obtained results demonstrate that the developed digital biosensor is capable for a rapid qualitative determination of the presence/absence of adrenaline in a YES/NO statement. Such digital biosensor could be used in clinical diagnostics for the control of a correct insertion of a catheter in the adrenal veins during adrenal venous-sampling procedure.
Quantitative nuclear magnetic resonance (qNMR) is considered as a powerful tool for multicomponent mixture analysis as well as for the purity determination of single compounds. Special attention is currently paid to the training of operators and study directors involved in qNMR testing. To assure that only qualified personnel are used for sample preparation at our GxP-accredited laboratory, weighing test was proposed. Sixteen participants performed six-fold weighing of the binary mixture of dibutylated hydroxytoluene (BHT) and 1,2,4,5-tetrachloro-3-nitrobenzene (TCNB). To evaluate the quality of data analysis, all spectra were evaluated manually by a qNMR expert and using in-house developed automated routine. The results revealed that mean values are comparable and both evaluation approaches are free of systematic error. However, automated evaluation resulted in an approximately 20% increase in precision. The same findings were revealed for qNMR analysis of 32 compounds used in pharmaceutical industry. Weighing test by six-fold determination in binary mixtures and automated qNMR methodology can be recommended as efficient tools for evaluating staff proficiency. The automated qNMR method significantly increases throughput and precision of qNMR for routine measurements and extends application scope of qNMR.
In this study, a recently proposed NMR standardization approach by 2H integral of deuterated solvent for quantitative multicomponent analysis of complex mixtures is presented. As a proof of principle, the existing NMR routine for the analysis of Aloe vera products was modified. Instead of using absolute integrals of targeted compounds and internal standard (nicotinamide) from 1H-NMR spectra, quantification was performed based on the ratio of a particular 1H-NMR compound integral and 2H-NMR signal of deuterated solvent D2O. Validation characteristics (linearity, repeatability, accuracy) were evaluated and the results showed that the method has the same precision as internal standardization in case of multicomponent screening. Moreover, a dehydration process by freeze drying is not necessary for the new routine. Now, our NMR profiling of A. vera products needs only limited sample preparation and data processing. The new standardization methodology provides an appealing alternative for multicomponent NMR screening. In general, this novel approach, using standardization by 2H integral, benefits from reduced sample preparation steps and uncertainties, and is recommended in different application areas (purity determination, forensics, pharmaceutical analysis, etc.).
Quantitative nuclear magnetic resonance (qNMR) is routinely performed by the internal or external standardization. The manuscript describes a simple alternative to these common workflows by using NMR signal of another active nuclei of calibration compound. For example, for any arbitrary compound quantification by NMR can be based on the use of an indirect concentration referencing that relies on a solvent having both 1H and 2H signals. To perform high-quality quantification, the deuteration level of the utilized deuterated solvent has to be estimated.
In this contribution the new method was applied to the determination of deuteration levels in different deuterated solvents (MeOD, ACN, CDCl3, acetone, benzene, DMSO-d6). Isopropanol-d6, which contains a defined number of deuterons and protons, was used for standardization. Validation characteristics (precision, accuracy, robustness) were calculated and the results showed that the method can be used in routine practice. Uncertainty budget was also evaluated. In general, this novel approach, using standardization by 2H integral, benefits from reduced sample preparation steps and uncertainties, and can be applied in different application areas (purity determination, forensics, pharmaceutical analysis, etc.).
NMR standardization approach that uses the 2H integral of deuterated solvent for quantitative multinuclear analysis of pharmaceuticals is described. As a proof of principle, the existing NMR procedure for the analysis of heparin products according to US Pharmacopeia monograph is extended to the determination of Na+ and Cl- content in this matrix. Quantification is performed based on the ratio of a 23Na (35Cl) NMR integral and 2H NMR signal of deuterated solvent, D2O, acquired using the specific spectrometer hardware. As an alternative, the possibility of 133Cs standardization using the addition of Cs2CO3 stock solution is shown. Validation characteristics (linearity, repeatability, sensitivity) are evaluated. A holistic NMR profiling of heparin products can now also be used for the quantitative determination of inorganic compounds in a single analytical run using a single sample. In general, the new standardization methodology provides an appealing alternative for the NMR screening of inorganic and organic components in pharmaceutical products.
Nuclear magnetic resonance (NMR) spectrometric methods for the quantitative analysis of pure heparin in crude heparin is proposed. For quantification, a two-step routine was developed using a USP heparin reference sample for calibration and benzoic acid as an internal standard. The method was successfully validated for its accuracy, reproducibility, and precision. The methodology was used to analyze 20 authentic porcine heparinoid samples having heparin content between 4.25 w/w % and 64.4 w/w %. The characterization of crude heparin products was further extended to a simultaneous analysis of these common ions: sodium, calcium, acetate and chloride. A significant, linear dependence was found between anticoagulant activity and assayed heparin content for thirteen heparinoids samples, for which reference data were available. A Diffused-ordered NMR experiment (DOSY) can be used for qualitative analysis of specific glycosaminoglycans (GAGs) in heparinoid matrices and, potentially, for quantitative prediction of molecular weight of GAGs. NMR spectrometry therefore represents a unique analytical method suitable for the simultaneous quantitative control of organic and inorganic composition of crude heparin samples (especially heparin content) as well as an estimation of other physical and quality parameters (molecular weight, animal origin and activity).
Monakhova, Yulia ; Soboleva, Polina M. ; Fedotova, Elena S. ; Musina, Kristina T. ; Burmistrova, Natalia A.
Heparin is a natural polysaccharide, which plays essential role in many biological processes. Alterations in building blocks can modify biological roles of commercial heparin products, due to significant changes in the conformation of the polymer chain. The variability structure of heparin leads to difficulty in quality control using different analytical methods, including infrared (IR) spectroscopy. In this paper molecular modelling of heparin disaccharide subunits was performed using quantum chemistry. The structural and spectral parameters of these disaccharides have been calculated using RHF/6-311G. In addition, over-sulphated chondroitin sulphate disaccharide was studied as one of the most widespread contaminants of heparin. Calculated IR spectra were analyzed with respect to specific structure parameters. IR spectroscopic fingerprint was found to be sensitive to substitution pattern of disaccharide subunits. Vibrational assignments of calculated spectra were correlated with experimental IR spectral bands of native heparin. Chemometrics was used to perform multivariate analysis of simulated spectral data.