@misc{13475, abstract = {{In the context of data-driven bioprocess modeling, selecting appropriate regression models remains a critical challenge. This is especially the case when dealing with time-dependent process dynamics and complex measurement data. The practical relevance of this study lies in its critical assessment of the application constraints associated with multivariate linear regression models in bioprocess monitoring of cell culture processes. The applicability of Partial Least Squares and Ridge regression was evaluated for different cultivation phases. The results emphasize that no single linear modeling approach is universally suitable for capturing the complex behavior of mammalian cell cultures. This is why we present an enhanced segmented modeling approach by learning the optimal transition point from data and introducing a gradual model switch, allowing for smoother and more robust adaptation to process dynamics. This segmented model led to improved predictive performance compared to single-model regression across the entire process duration. Nevertheless, the heterogeneity of the 11 mammalian cell culture datasets used in this study posed significant challenges, with the best-performing models achieving prediction error of around 0.31 of the average offline viable cell density. These results underline the potential of phase-adaptive modeling, while also emphasizing the need for further optimization to robustly handle diverse bioprocess conditions.}}, author = {{Uhlendorff, Selina and Burankova, Tatsiana and Dahlmann, Katharina and Frahm, Björn and Pein-Hackelbusch, Miriam}}, booktitle = {{2025 International Workshop on Impedance Spectroscopy (IWIS)}}, isbn = {{979-8-3315-9323-0}}, keywords = {{cell culture, impedance spectroscopy, partial least squares, ridge regression}}, location = {{Chemnitz}}, pages = {{34--39}}, publisher = {{IEEE}}, title = {{{Application Constraints of Linear Multivariate Regression Models for Dielectric Spectroscopy in Inline Bioreactor Viable Cell Analysis}}}, doi = {{10.1109/iwis69004.2025.11339388}}, year = {{2026}}, } @inbook{13712, abstract = {{Biopharmaceutical quality in upstream mammalian cell culture has historically relied on Quality-by-Test (QbT) paradigm, where fixed processes are verified by end-point assays despite limited process observability and substantial biological variability. This chapter discusses how Process Analytical Technology (PAT), aligned with the Quality-by-Design (QbD) framework, enables measurement-driven process understanding and timely control by linking the trajectories of critical process parameters (CPPs) to critical quality attributes (CQAs). We review fit-for-purpose at-line, on-line, and in-line analytical technologies used in mammalian cell culture and summarize their roles across the process development and manufacturing lifecycle. Applications include multivariate process characterization, state-based monitoring and control, and trajectory-based process supervision. Finally, we outline future directions toward IIoT-enabled connectivity, soft sensors, and integrated multi-sensor PAT platforms, which are expected to support adaptive control strategies, digital twins, and ultimately autonomous biomanufacturing.}}, author = {{Park, Cheol-Hwan and Jeon, Yunjoo and Uhlendorff, Selina and Pein-Hackelbusch, Miriam and Lee, Dong-Yup}}, booktitle = {{Reference Module in Life Sciences}}, editor = {{Roitberg, Bernard D. }}, publisher = {{Elsevier}}, title = {{{Process Analytical Technology in Upstream Mammalian Cell Cultures}}}, doi = {{10.1016/b978-0-443-24738-5.00086-0}}, year = {{2026}}, } @misc{13101, abstract = {{Introduction: In-line sensors, which are crucial for real-time (bio-) process monitoring, can suffer from anomalies. These signal spikes and shifts compromise process control. Due to the dynamic and non-stationary nature of bioprocess signals, addressing these issues requires specialized preprocessing. However, existing anomaly detection methods often fail for real-time applications. Methods: This study addresses a common yet critical issue: developing a robust and easy-to-implement algorithm for real-time anomaly detection and removal for in-line permittivity sensor measurement. Recombinant Pichia pastoris cultivations served as a case study. Trivial approaches, such as moving average filtering, do not adequately capture the complexity of the problem. However, our method provides a structured solution through three consecutive steps: 1) Signal preprocessing to reduce noise and eliminate context dependency; 2) Anomaly detection using threshold-based identification; 3) Validation and removal of identified anomalies. Results and discussion: We demonstrate that our approach effectively detects and removes anomalies by compensating signal shift value, while remaining computationally efficient and practical for real-time use. It achieves an F1-score of 0.79 with a static threshold of 1.06 pF/cm and a double rolling aggregate transformer using window sizes w1 = 1 and w2 = 15. This flexible and scalable algorithm has the potential to bridge a crucial gap in process real-time analytics and control.}}, author = {{Bolmanis, Emils and Uhlendorff, Selina and Pein-Hackelbusch, Miriam and Galvanauskas, Vytautas and Grigs, Oskars}}, booktitle = {{Frontiers in Bioengineering and Biotechnology}}, issn = {{2296-4185}}, keywords = {{in-situ, permittivity, dielectric spectroscopy, signal preprocessing, dynamic threshold, static threshold, anomaly validation, Pichia pastoris}}, publisher = {{Frontiers Media SA}}, title = {{{Anomaly detection and removal strategies for in-line permittivity sensor signal used in bioprocesses}}}, doi = {{10.3389/fbioe.2025.1609369}}, volume = {{13}}, year = {{2025}}, } @misc{13122, author = {{Uhlendorff, Selina and Bolmanis, Emils and Pein-Hackelbusch, Miriam and Galvanauskas, Vytautas and Grigs, Oskars}}, location = {{Lissabon}}, title = {{{Analysis of Anomaly Detection Techniques for In-line Permittivity Sensors in Bioprocesses}}}, year = {{2025}}, } @misc{13223, author = {{Uhlendorff, Selina and Burankova, Tatsiana and Dahlmann, Katharina and Frahm, Björn and Pein-Hackelbusch, Miriam}}, location = {{Chemnitz}}, title = {{{Application Constraints of Linear Multivariate Regression Models for Dielectric Spectroscopy in Inline Bioreactor Viable Cell Analysis}}}, year = {{2025}}, } @misc{13225, abstract = {{In recent years, there has been an increasing awareness of the importance of incorporating diversity into research projects, focusing on both how they are conducted and their content. Funding organizations have started to require that research applicants pay attention to inclusion and diversity by considering gender dimensions and other diversity factors in their project plans and ensuring gender equality during execution. Based on an extensive literature research and expert discussions on how to develop and implement diversity strategies in large collaborative research projects, we argue that there is a lack of practical advice in existing literature. Drawing from our own experiences in conceptualizing and implementing a Diversity Program across four universities in Germany, we propose a framework for effectively integrating diversity into collaborative research initiatives across various academic fields.}}, author = {{Lorke, Mariya and Amelung, Rena and Kuchling, Peter and Paaßen, Benjamin and Pein-Hackelbusch, Miriam and Schloots, Franziska and Schulz, Klara and Nauerth, Annette}}, booktitle = {{Diversity & Inclusion Research}}, issn = {{2835-236X}}, keywords = {{collaborative research projects, diversity strategy, gender equality}}, number = {{4}}, publisher = {{Wiley}}, title = {{{Development and Implementation of Diversity Programs in Large Collaborative Research Projects: An Example From Germany}}}, doi = {{10.1002/dvr2.70040}}, volume = {{2}}, year = {{2025}}, } @misc{13246, abstract = {{Although electronic nose technology has been studied for years, drift effects remain one of the major challenges. While ongoing research focuses on effective correction methods, the evaluation of these methods requires reliable and well-documented datasets. However, only a few drift datasets are available, some of which lack sufficient experimental detail or are outdated. This motivated us to introduce a new long-term drift dataset. It has been collected over 12 months using a commercial electronic nose, which is based on 62-metal oxide sensors. The measurements were conducted under controlled experimental conditions with three analytes (diacetyl, 2-phenylethanol, and ethanol) in different concentrations. The dataset consists of 700 time-series recordings, for which we provide both the raw data and a set of pre-extracted features. The data can support the development, evaluation, and comparison of methods for feature extraction and selection, as well as drift detection and compensation. By providing a comprehensive, well-documented dataset, we aim to advance research on sensor drift in electronic nose systems.}}, author = {{Wörner, Julius and Eimler, Jonas and Pein-Hackelbusch, Miriam}}, booktitle = {{Scientific Data}}, issn = {{2052-4463}}, publisher = {{Nature Research}}, title = {{{Long-term drift behavior in metal oxide gas sensor arrays: a one-year dataset from an electronic nose}}}, doi = {{10.1038/s41597-025-05993-8}}, volume = {{12}}, year = {{2025}}, } @misc{13315, abstract = {{Determining cell density and viability with (semi‐)automated methods enables rapid cell cultivation analysis. However, scientific validation is required, typically by comparing results to manual counting. To address this, we present a method to evaluate and compare two cell counting methods exemplified by a manual and a semi‐automated method (Countstar BioTech). Experiments followed validation parameters aligned with the International Council for Harmonization (ICH) Q2(R1) guideline and a dilution series design based on ISO 20391‐2:2019. Both the semi‐automated and manual methods showed comparable specificity and linearity for Chinese hamster ovary (CHO)‐K1 cells. The semi‐automated method exhibited superior repeatability for total cell density, whereas cell viability results showed no significant difference.}}, author = {{Uhlendorff, Selina and Odefey, Ulrich and Frahm, Björn and Pein-Hackelbusch, Miriam}}, booktitle = {{Chemie Ingenieur Technik}}, issn = {{1522-2640}}, keywords = {{Cell density, Cell enumeration, Cell viability, CHO-K1}}, number = {{1-2}}, pages = {{57–68}}, publisher = {{Wiley}}, title = {{{Performance Comparison between Semi‐Automated and Manual Cell Counting for Animal Cell Culture}}}, doi = {{10.1002/cite.70048}}, volume = {{98}}, year = {{2025}}, } @misc{13316, author = {{Pein-Hackelbusch, Miriam}}, booktitle = {{PTA heute : Praxiswissen für die Apotheke}}, issn = {{0302-167X}}, number = {{23}}, pages = {{38--42}}, publisher = {{Deutscher Apotheker Verlag}}, title = {{{An die Hand genommen - Adhärenz bei Kindern}}}, volume = {{39}}, year = {{2025}}, } @misc{13329, author = {{Kemper, Lisa and Wörner, Julius and Schneider, Jan and Pein-Hackelbusch, Miriam}}, location = {{Lissabon, Portugal}}, title = {{{Diacetyl detection by electronic nose in beer-imitating matrices}}}, year = {{2025}}, } @misc{12781, abstract = {{Roller compaction/dry granulation (RC/DG) is a key process in pharmaceutical manufacturing for improving powder flowability, density, and segregation resistance. Advanced statistical modeling was used to optimize RC/DG process parameters and subsequently binder compositions by employing process and mixture design experiments. The authors used microcrystalline cellulose (MCC), silicified MCC (SMCC), and dicalcium phosphate (DCP) as filler-binder examples in RC/DG experiments. Granule and tablet properties, including flowability, bulk and tapped densities, as well as resistance to crushing, were analyzed using compendial methods. The process design experiments confirmed that RC/DG reduces manufacturability compared to direct compression. Optimal processing conditions, balancing sufficient tablet strengths and granule formation, were identified to be between 20 (SCF * ϑ) [kN/cm] and ∼ 60 (SCF * ϑ) [kN/cm]. Thereby (ϑ) is defined as the screw-to-roll speed ratio and (SFC) as the specific compaction force. Mixture design experiments revealed optimal mixtures balancing SMCC, MCC, and DCP to achieve desired properties like low angle of repose, high bulk density, and strong tablets. These findings provide guidance for selecting formulations and process parameters in RC/DG applications. The derived ‘SCF * ϑ’- factor was found to effectively describe the granulation intensity. A superimposed mixture design model based on precise target values of the parameters bulk density, flow properties, and breaking force allowed identification of the best formulation.}}, author = {{Märkle, Niclas and Warnke, Gernot and Pein-Hackelbusch, Miriam}}, booktitle = {{International Journal of Pharmaceutics: X}}, issn = {{2590-1567}}, keywords = {{Design of experiments, Roller compaction/dry granulation, RC/DG, Dicalcium phosphate, Microcrystalline cellulose, Silicified microcrystalline cellulose}}, publisher = {{Elsevier BV}}, title = {{{An iterative process and mixture design approach for dry granulated ternary blends of filler-binders}}}, doi = {{10.1016/j.ijpx.2025.100331}}, volume = {{9}}, year = {{2025}}, } @misc{11492, abstract = {{In this review, we aim to highlight the advantages, challenges, and limitations of electronic tongues (e-tongues) in pharmaceutical drug development. The authors, therefore, critically evaluated the performance of e-tongues regarding their qualification to assess peroral formulations containing bitter active pharmaceutical ingredients. A literature search using the keywords ‘electronic’, ‘tongue’, ‘bitter’, and ‘drug’ in a Web of Science search was therefore initially conducted. Reviewing the publications of the past decade, and further literature where necessary, allowed the authors to discuss whether and how e-tongues perform as expected and whether they have the potential to become a standard tool in drug development. Specifically highlighted are the expectations an e-tongue should meet. Further, a brief insight into the technologies of the utilized e-tongues is given. Reliable protocols were found that enable (i) the qualified performance of e-tongue instruments from an analytical perspective, (ii) proper taste-masking assessments, and (iii) under certain circumstances, the evaluation of bitterness.}}, author = {{Steiner, Denise and Meyer, Alexander and Immohr, Isabell and Pein-Hackelbusch, Miriam}}, booktitle = {{Pharmaceutics}}, issn = {{1999-4923 }}, keywords = {{e-tongues, performance, qualification, taste masking, bitterness, dosage forms, drug formulations}}, number = {{5}}, publisher = {{MDPI}}, title = {{{Critical View on the Qualification of Electronic Tongues Regarding Their Performance in the Development of Peroral Drug Formulations with Bitter Ingredients}}}, doi = {{10.3390/pharmaceutics16050658}}, volume = {{16}}, year = {{2024}}, } @misc{11493, abstract = {{Eine in 2023 in Irland durchgeführte Studie kommt zu dem Ergebnis, dass unter anderem ein schlechter Geschmack von Antibiotika-Zubereitungen zu einer schlechten Compliance bei Kindern führt. Aber wie sehen die Geschmacksmaskierungs­strategien von in Deutschland erhältlichen Antibiotika-­Trockensaftformulierungen aus und zu welchem Zeitpunkt der Arzneimittelentwicklung kann das Thema Geschmack überhaupt adressiert werden?}}, author = {{Pein-Hackelbusch, Miriam}}, booktitle = {{Deutsche Apotheker Zeitung}}, issn = {{0011-9857 }}, number = {{14}}, pages = {{38--42}}, publisher = {{Deutscher Apothekerverlag}}, title = {{{Hauptsache süß : Über die Geschmacksmaskierung in Antibiotika-Säften}}}, volume = {{164}}, year = {{2024}}, } @misc{11495, abstract = {{To evaluate the suitability of an analytical instrument, essential figures of merit such as the limit of detection (LOD) and the limit of quantification (LOQ) can be employed. However, as the definitions k nown in the literature are mostly applicable to one signal per sample, estimating the LOD for substances with instruments yielding multidimensional results like electronic noses (eNoses) is still challenging. In this paper, we will compare and present different approaches to estimate the LOD for eNoses by employing commonly used multivariate data analysis and regression techniques, including principal component analysis (PCA), principal component regression (PCR), as well as partial least squares regression (PLSR). These methods could subsequently be used to assess the suitability of eNoses to help control and steer processes where volatiles are key process parameters. As a use case, we determined the LODs for key compounds involved in beer maturation, namely acetaldehyde, diacetyl, dimethyl sulfide, ethyl acetate, isobutanol, and 2-phenylethanol, and discussed the suitability of our eNose for that dertermination process. The results of the methods performed demonstrated differences of up to a factor of eight. For diacetyl, the LOD and the LOQ were sufficiently low to suggest potential for monitoring via eNose. }}, author = {{Kruse, Julia and Wörner, Julius and Schneider, Jan and Dörksen, Helene and Pein-Hackelbusch, Miriam}}, booktitle = {{Sensors}}, issn = {{1424-8220 }}, keywords = {{multidimensional sensor arrays, MOS sensors, beer fermentation, process control, gas analysis, metal oxide semiconductors, intentional data analysis, chemometrics, PLSR, PCA, first-order calibration}}, number = {{11}}, publisher = {{MDPI}}, title = {{{Methods for Estimating the Detection and Quantification Limits of Key Substances in Beer Maturation with Electronic Noses }}}, doi = {{10.3390/s24113520}}, volume = {{24}}, year = {{2024}}, } @misc{11537, author = {{Katsch, Linda and Trilling-Haasler, Marc and Fahmi, Amir and Pein-Hackelbusch, Miriam and Schneider, Jan}}, location = {{Lille}}, title = {{{Determination and prediction of the recycled polyethylene terephthalate content in preforms for the production of beverage bottles}}}, year = {{2024}}, } @misc{11996, author = {{Katsch, Linda and Trilling-Haasler, Marc and Pein-Hackelbusch, Miriam and Schneider, Jan}}, location = {{Köln}}, title = {{{PETauthent – Authentication of PET recyclate for food packaging using data-intensive sensors and machine learning methods}}}, year = {{2024}}, } @misc{12013, author = {{Trilling-Haasler, Marc and Katsch, Linda and Fahmi, Amir and Pein-Hackelbusch, Miriam and Schneider, Jan}}, location = {{Lemgo}}, title = {{{Der rPET Gehalt in Flaschen - eine Frage des Glaubens? }}}, year = {{2024}}, } @unpublished{12400, abstract = {{Determining cell density and cell viability is fundamental for any cell cultivation process. In addition to the manual counting method using hemocytometers, (semi-)automated methods offer advantages such as lower variability and shortened analysis times. However, these methods should provide at least comparable results to the manual method, which is why a comparison of methods is essential. We conducted a dilution series experimental design according to ISO 20391-2:2019 and compared two cell counting methods based on validation parameters aligned with the ICH Q2(R1) guideline. Regarding specificity and linearity, the manual (hemocytometer) and semi-automated (Countstar BioTech®) method exhibited similar results in the two evaluated characteristics total cell density and cell viability of CHO-K1 cells. Regarding repeatability of determining total cell density, the semi-automated method achieved significant (α = 0.05) better results with average relative standard deviations of < 6 %, than the manual method with average relative standard deviations of > 9 %. Concerning repeatability of the cell viability measurement, no significant difference between the two methods were shown. These results show the suitabililty of the dilution series experimental design. For the applied example, they indicate that the investigated semi-automated method is an appropriate alternative to the manual method.}}, author = {{Ramm, Selina and Odefey, Ulrich and Frahm, Björn and Pein-Hackelbusch, Miriam}}, publisher = {{bioRxiv}}, title = {{{Semi-automated vs. manual: Comparative study of cell culture counting methods using validation parameters}}}, doi = {{10.1101/2024.05.30.596619}}, year = {{2024}}, } @misc{13650, author = {{Uhlendorff, Selina and Hernández Rodriguez, Tanja and Frahm, Björn and Pein-Hackelbusch, Miriam}}, location = {{Lemgo, Germany}}, title = {{{Systematic Preprocessing of Dielectric Spectroscopy Data and Estimating Viable Cell Densities}}}, year = {{2023}}, } @misc{10788, abstract = {{For process monitoring, an adequate data preprocessing is crucial to link accessible inline process data with offline measured target variables. Literature, however, does not provide systematic preprocessing strategies. The effects of five different preprocessing strategies on data from a Dielectric Spectroscopy system applied to the Viable Cell Density (VCD) of a mammalian cell cultivation were thus evaluated. Single-frequency measurements are typically used to model the VCD over the growth phase using linear regression or the Cole-Cole model and served as a reference. As multi-frequency measurement is promising to model the VCD beyond the growth phase using Partial Least Squares Regression (PLSR), we further aimed to determine, whether replacing linear regression by PLSR shows comparable modeling performance. All five preprocessing strategies led to comparable results. Exemplary, when using capacitance values at a frequency of 3347 kHz, linear regression resulted in a R2 of 0.90 and a standard deviation of 0.4 % on average. Both normalization techniques had the same positive effect on the results of PLSR. The order of smoothing and normalization was irrelevant for both regression methods. Comparing the results of linear regression and PLSR, the latter obtained on average 9 % better results. Therefore, we concluded that PLSR is preferable over linear regression and is potentially suitable to model the VCD beyond the growth phase, which is suggested to be investigated based on more data sets.}}, author = {{Ramm, Selina and Hernández Rodriguez, Tanja and Frahm, Björn and Pein-Hackelbusch, Miriam}}, booktitle = {{2023 IEEE 21st International Conference on Industrial Informatics (INDIN)}}, editor = {{Jasperneite, Jürgen and Wisniewski, Lukasz and Fung Man, Kim}}, isbn = {{978-1-6654-9314-7}}, issn = {{1935-4576}}, keywords = {{Spectroscopy, Smoothing methods, Systematics, Phase measurement, Linear regression, Data models, Dielectric measurement}}, location = {{Lemgo}}, pages = {{1--6}}, publisher = {{IEEE}}, title = {{{Systematic Preprocessing of Dielectric Spectroscopy Data and Estimating Viable Cell Densities}}}, doi = {{10.1109/INDIN51400.2023.10218012}}, year = {{2023}}, } @misc{11487, author = {{Ramm, Selina and Hernández Rodriguez, Tanja and Frahm, Björn and Pein-Hackelbusch, Miriam}}, location = {{Berlin, Germany}}, publisher = {{DECHEMA e.V.}}, title = {{{Comparison of Preprocessing Methods of Dielectric Spectroscopy Data and the Effects on Linear Regression }}}, year = {{2023}}, } @misc{10216, abstract = {{Wet granulation is a frequent process in the pharmaceutical industry. As a starting point for numerous dosage forms, the quality of the granulation not only affects subsequent production steps but also impacts the quality of the final product. It is thus crucial and economical to monitor this operation thoroughly. Here, we report on identifying different phases of a granulation process using a machine learning approach. The phases reflect the water content which, in turn, influences the processability and quality of the granule mass. We used two kinds of microphones and an acceleration sensor to capture acoustic emissions and vibrations. We trained convolutional neural networks (CNNs) to classify the different phases using transformed sound recordings as the input. We achieved a classification accuracy of up to 90% using vibrational data and an accuracy of up to 97% using the audible microphone data. Our results indicate the suitability of using audible sound and machine learning to monitor pharmaceutical processes. Moreover, since recording acoustic emissions is contactless, it readily complies with legal regulations and presents Good Manufacturing Practices.}}, author = {{Fulek, Ruwen and Ramm, Selina and Kiera, Christian and Pein-Hackelbusch, Miriam and Odefey, Ulrich}}, booktitle = {{Pharmaceutics}}, issn = {{1999-4923 }}, keywords = {{wet granulation, acoustic classification, machine learning, convolutional neural networks}}, number = {{8}}, publisher = {{MDPI}}, title = {{{A machine learning approach to qualitatively evaluate different granulation phases by acoustic emissions}}}, doi = {{https://doi.org/10.3390/pharmaceutics15082153}}, volume = {{15}}, year = {{2023}}, } @misc{10326, abstract = {{In the food industry, and especially in wines as products thereof, ethanol and sulfur dioxide play an equally important role. Both substances are important wine quality characteristics as they influence the taste and odor. As both substances comprise volatile matter, electronic noses should be applicable to discriminate the different qualities of wines. Our study investigates the influence of alcohol and sulfur dioxide on the discrimination ability of wines (especially those of the same grape variety) using two different electronic nose systems. One system is equipped with metal oxide sensors and the other with quartz crystal microbalance sensors. Contrary to indications in literature, where the alcohol content is discussed to have a large influence on e-nose results, it was shown that a difference of 1 % ethanol was not sufficient to allow accurate discrimination using Linear Discriminant Analysis by any system. On the positive side, the analyzed concentrations of ethanol (about 12 %) did not superimpose other volatile information. So difference in sulfur dioxide content gave an accuracy for sample discrimination of up to 90.6 % with MOS nose. Thus, we are so far partially able to discriminate wines with electronic noses based on their volatile imprint.}}, author = {{Wörner, Julius and Dörksen, Helene and Pein-Hackelbusch, Miriam}}, booktitle = {{2023 IEEE 21st International Conference on Industrial Informatics (INDIN)}}, keywords = {{Ethanol, Pipelines, Metals, Nose, Electronic noses, Sensor systems, Sensors, Quartz crystals, Linear discriminant analysis, Sulfur}}, location = {{Lemgo}}, title = {{{Key Indicators for the Discrimination of Wines by Electronic Noses}}}, doi = {{https://doi.org/10.1109/INDIN51400.2023.10217912}}, year = {{2023}}, } @misc{10327, abstract = {{Wound infections are a major problem worldwide, both for the healthcare system and for patients affected. Currently available diagnostic methods to determine the responsible germs are time-consuming and costly. Wound infections are mostly caused by various bacteria, which in turn produce volatile organic compounds. From clinical experience, we know that depending on the bacteria involved, a specific odor impression can be expected. For this reason, we hypothesized that electronic noses, i.e., non-invasive electronic sensors for the detection of volatile organic compounds, are applicable for diagnostic purposes. By providing a comprehensive overview of the state-of-research, we tested our hypothesis. In particular, we addressed three overarching questions: 1) which sensor technologies are suitable for the diagnosis of wound infections and why? 2) how must the (biological) sample be prepared and presented to the measurement system? 3) which machine learning methods and algorithms have already proven successful for the classification of microorganisms? The corresponding articles have critically been reviewed and are discussed particularly in the context of their potential for clinical diagnostics. In summary, it can already be stated today that the use of electronic noses for the detection of bacteria in wound infections is a very interesting, fast and non-invasive method. However, reliable clinical studies are still missing and further research is necessary.}}, author = {{Wörner, Julius and Moelleken, Maurice and Dissemond, Joachim and Pein-Hackelbusch, Miriam}}, booktitle = {{Frontiers in Sensors}}, issn = {{2673-5067}}, publisher = {{Frontiers Media}}, title = {{{Supporting wound infection diagnosis: advancements and challenges with electronic noses}}}, doi = {{https://doi.org/10.3389/fsens.2023.1250756}}, volume = {{4}}, year = {{2023}}, } @misc{12705, abstract = {{This dataset contains spectroscopic measurement data and Orange project files used in the INDIN 2023 paper "A Novel Spectroscopic Approach for Vaseline Quality Discrimination".}}, author = {{Fliedner, Niels Hendrik and Lohweg, Volker and Pein-Hackelbusch, Miriam}}, publisher = {{zenodo}}, title = {{{Dataset for A Novel Spectroscopic Approach for Vaseline Quality Discrimination}}}, doi = {{10.5281/ZENODO.7782807}}, year = {{2023}}, } @misc{9627, author = {{Ramm, Selina and Fulek, Ruwen and Eberle, Veronika Anna and Kiera, Christian and Odefey, Ulrich and Pein-Hackelbusch, Miriam}}, location = {{Rosenberg}}, title = {{{Compression Density as an Alternative to Identify an Optimal Moisture Content for High Shear Wet Granulation as an Initial Step for Spheronisation}}}, year = {{2023}}, } @misc{9568, abstract = {{Pellet production is a multi-step manufacturing process comprising granulation, extrusion and spheronisation. The first step represents a critical control point, since the quality of the granule mass highly influences subsequent process steps and, consequently, the quality of final pellets. The most important parameter of wet granulation is the liquid requirement, which can often only be quantitatively evaluated after further process steps. To identify an alternative for optimal liquid requirements, experiments were conducted with a formulation based on lactose and microcrystalline cellulose. Granules were analyzed with a Powder Vertical Shear Rig. We identified the compression density (ρpress) as the said alternative, linking information from the powder material and the moisture content (R2 = 0.995). We used ρpress to successfully predict liquid requirements for unknown formulation compositions. By means of this prediction, pellets with high quality, regarding shape and size distribution, were produced by carrying out a multi-step manufacturing process. Furthermore, the applicability of ρpress as an alternative quality parameter to other placebo formulations and to formulations containing active pharmaceutical ingredients (APIs) was demonstrated.}}, author = {{Ramm, Selina and Fulek, Ruwen and Eberle, Veronika Anna and Kiera, Christian and Odefey, Ulrich and Pein-Hackelbusch, Miriam}}, booktitle = {{Pharmaceutics}}, issn = {{1999-4923}}, keywords = {{wet granulation, liquid requirement, granulation endpoint, compression density}}, number = {{11}}, publisher = {{MDPI}}, title = {{{Compression Density as an Alternative to Identify an Optimal Moisture Content for High Shear Wet Granulation as an Initial Step for Spheronisation.}}}, doi = {{https://doi.org/10.3390/pharmaceutics14112303}}, volume = {{14}}, year = {{2022}}, }