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  1. Article ; Online: Bioprocess in-line monitoring and control using Raman spectroscopy and Indirect Hard Modeling (IHM).

    Müller, David Heinrich / Börger, Marieke / Thien, Julia / Koß, Hans-Jürgen

    Biotechnology and bioengineering

    2024  

    Abstract: Process in-line monitoring and control are crucial to optimize the productivity of bioprocesses. A frequently applied Process Analytical Technology (PAT) tool for bioprocess in-line monitoring is Raman spectroscopy. However, evaluating bioprocess Raman ... ...

    Abstract Process in-line monitoring and control are crucial to optimize the productivity of bioprocesses. A frequently applied Process Analytical Technology (PAT) tool for bioprocess in-line monitoring is Raman spectroscopy. However, evaluating bioprocess Raman spectra is complex and calibrating state-of-the-art statistical evaluation models is effortful. To overcome this challenge, we developed an Indirect Hard Modeling (IHM) prediction model in a previous study. The combination of Raman spectroscopy and the IHM prediction model enables non-invasive in-line monitoring of glucose and ethanol mass fractions during yeast fermentations with significantly less calibration effort than comparable approaches based on statistical models. In this study, we advance this IHM-based approach and successfully demonstrate that the combination of Raman spectroscopy and IHM is capable of not only bioprocess monitoring but also bioprocess control. For this purpose, we used this combination's in-line information as input of a simple on-off glucose controller to control the glucose mass fraction in Saccharomyces cerevisiae fermentations. When we performed two of these fermentations with different predefined glucose set points, we achieved similar process control quality as approaches using statistical models, despite considerably smaller calibration effort. Therefore, this study reaffirms that the combination of Raman spectroscopy and IHM is a powerful PAT tool for bioprocesses.
    Language English
    Publishing date 2024-04-28
    Publishing country United States
    Document type Journal Article
    ZDB-ID 280318-5
    ISSN 1097-0290 ; 0006-3592
    ISSN (online) 1097-0290
    ISSN 0006-3592
    DOI 10.1002/bit.28724
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    In stock of ZB MED Cologne/Königswinter

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  2. Article ; Online: The Good pH probe: non-invasive pH in-line monitoring using Good buffers and Raman spectroscopy.

    Müller, David Heinrich / Börger, Marieke / Thien, Julia / Koß, Hans-Jürgen

    Analytical and bioanalytical chemistry

    2023  Volume 415, Issue 29-30, Page(s) 7247–7258

    Abstract: In bioprocesses, the pH value is a critical process parameter that requires monitoring and control. For pH monitoring, potentiometric methods such as pH electrodes are state of the art. However, they are invasive and show measurement value drift. ... ...

    Abstract In bioprocesses, the pH value is a critical process parameter that requires monitoring and control. For pH monitoring, potentiometric methods such as pH electrodes are state of the art. However, they are invasive and show measurement value drift. Spectroscopic pH monitoring is a non-invasive alternative to potentiometric methods avoiding this measurement value drift. In this study, we developed the Good pH probe, which is an approach for spectroscopic pH monitoring in bioprocesses with an effective working range between pH 6 and pH 8 that does not require the estimation of activity coefficients. The Good pH probe combines for the first time the Good buffer 3-(N-morpholino)propanesulfonic acid (MOPS) as pH indicator with Raman spectroscopy as spectroscopic technique, and Indirect Hard Modeling (IHM) for the spectral evaluation. During a detailed characterization, we proved that the Good pH probe is reversible, exhibits no temperature dependence between 15 and 40 °C, has low sensitivity to the ionic strength up to 1100 mM, and is applicable in more complex systems, in which other components significantly superimpose the spectral features of MOPS. Finally, the Good pH probe was successfully used for non-invasive pH in-line monitoring during an industrially relevant enzyme-catalyzed reaction with a root mean square error of prediction (RMSEP) of 0.04 pH levels. Thus, the Good pH probe extends the list of critical process parameters monitorable using Raman spectroscopy and IHM by the pH value.
    Language English
    Publishing date 2023-11-20
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 201093-8
    ISSN 1618-2650 ; 0016-1152 ; 0372-7920
    ISSN (online) 1618-2650
    ISSN 0016-1152 ; 0372-7920
    DOI 10.1007/s00216-023-04993-0
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    In stock of ZB MED Bonn / Germany

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  3. Article ; Online: Bioprocess in-line monitoring using Raman spectroscopy and Indirect Hard Modeling (IHM): A simple calibration yields a robust model.

    Müller, David Heinrich / Flake, Carsten / Brands, Thorsten / Koß, Hans-Jürgen

    Biotechnology and bioengineering

    2023  Volume 120, Issue 7, Page(s) 1857–1868

    Abstract: To increase the process productivity and product quality of bioprocesses, the in-line monitoring of critical process parameters is highly important. For monitoring substrate, metabolite, and product concentrations, Raman spectroscopy is a commonly used ... ...

    Abstract To increase the process productivity and product quality of bioprocesses, the in-line monitoring of critical process parameters is highly important. For monitoring substrate, metabolite, and product concentrations, Raman spectroscopy is a commonly used Process Analytical Technology (PAT) tool that can be applied in-situ and non-invasively. However, evaluating bioprocess Raman spectra with a robust state-of-the-art statistical model requires effortful model calibration. In the present study, we in-line monitored a glucose to ethanol fermentation by Saccharomyces cerevisiae (S. cerevisiae) using Raman spectroscopy in combination with the physics-based Indirect Hard Modeling (IHM) and showed successfully that IHM is an alternative to statistical models with significantly lower calibration effort. The IHM prediction model was developed and calibrated with only 16 Raman spectra in total, which did not include any process spectra. Nevertheless, IHM's root mean square errors of prediction (RMSEPs) for glucose (3.68 g/L) and ethanol (1.69 g/L) were comparable to the prediction quality of similar studies that used statistical models calibrated with several calibration batches. Despite our simple calibration, we succeeded in developing a robust model for evaluating bioprocess Raman spectra.
    MeSH term(s) Calibration ; Spectrum Analysis, Raman/methods ; Saccharomyces cerevisiae/metabolism ; Ethanol/metabolism ; Glucose/metabolism
    Chemical Substances Ethanol (3K9958V90M) ; Glucose (IY9XDZ35W2)
    Language English
    Publishing date 2023-05-11
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 280318-5
    ISSN 1097-0290 ; 0006-3592
    ISSN (online) 1097-0290
    ISSN 0006-3592
    DOI 10.1002/bit.28424
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    In stock of ZB MED Cologne/Königswinter

    Zs.B 960: Show issues Location:
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  4. Book ; Online ; Thesis: Automated measurement, modeling and interpretation of diffusion coefficients in aqueous multicomponent mixtures

    Flake, Carsten [Verfasser] / Bardow, André [Akademischer Betreuer] / Koß, Hans-Jürgen [Akademischer Betreuer] / Jupke, Andreas [Akademischer Betreuer]

    2024  

    Author's details Carsten Flake ; André Bardow, Hans-Jürgen Koß, Andreas Jupke
    Keywords Technische Chemie ; Technical Chemistry
    Subject code sg660
    Language English
    Publisher Universitätsbibliothek der RWTH Aachen
    Publishing place Aachen
    Document type Book ; Online ; Thesis
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  5. Article ; Online: Completely Computational Model Setup for Spectroscopic Techniques: The

    Wöhl, Justus / Kopp, Wassja A / Yevlakhovych, Iryna / Bahr, Leo / Koß, Hans-Jürgen / Leonhard, Kai

    The journal of physical chemistry. A

    2022  Volume 126, Issue 18, Page(s) 2845–2853

    Abstract: The spectroscopic quantification of mixture compositions usually requires pure compounds and mixtures of known compositions for calibration. Since they are not always available, methods to fill such gaps have evolved, which are, however, not generally ... ...

    Abstract The spectroscopic quantification of mixture compositions usually requires pure compounds and mixtures of known compositions for calibration. Since they are not always available, methods to fill such gaps have evolved, which are, however, not generally applicable. Therefore, calibration can be extremely challenging, especially when multiple unstable species, for example, intermediates, exist in a system. This study presents a new calibration approach that uses
    Language English
    Publishing date 2022-04-27
    Publishing country United States
    Document type Journal Article
    ISSN 1520-5215
    ISSN (online) 1520-5215
    DOI 10.1021/acs.jpca.2c01061
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Book ; Online ; Thesis: Refinement of Raman spectra from extreme background and noise interferences

    Gebrekidan, Medhanie Tesfay [Verfasser] / Bräuer, Andreas [Gutachter] / Bräuer, Andreas [Akademischer Betreuer] / Koß, Hans-Jürgen [Gutachter]

    Cancer diagnostics using Raman spectroscopy

    2022  

    Author's details Medhanie Tesfay Gebrekidan ; Gutachter: Andreas Bräuer, Hans-Jürgen Koß ; Betreuer: Andreas Bräuer
    Keywords Technische Chemie ; Technical Chemistry
    Subject code sg660
    Language English
    Publisher Technische Universität Bergakademie Freiberg
    Publishing place Freiberg
    Document type Book ; Online ; Thesis
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  7. Article ; Online: Author Correction: Interdisciplinary development of an overall process concept from glucose to 4,5-dimethyl-1,3-dioxolane via 2,3-butanediol.

    Graf von Westarp, William / Wiesenthal, Jan / Spöring, Jan-Dirk / Mengers, Hendrik G / Kasterke, Marvin / Koß, Hans-Jürgen / Blank, Lars M / Rother, Dörte / Klankermayer, Jürgen / Jupke, Andreas

    Communications chemistry

    2023  Volume 6, Issue 1, Page(s) 283

    Language English
    Publishing date 2023-12-21
    Publishing country England
    Document type Published Erratum
    ZDB-ID 2929562-2
    ISSN 2399-3669 ; 2399-3669
    ISSN (online) 2399-3669
    ISSN 2399-3669
    DOI 10.1038/s42004-023-01089-9
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  8. Article ; Online: Interdisciplinary development of an overall process concept from glucose to 4,5-dimethyl-1,3-dioxolane via 2,3-butanediol.

    Graf von Westarp, William / Wiesenthal, Jan / Spöring, Jan-Dirk / Mengers, Hendrik G / Kasterke, Marvin / Koß, Hans-Jürgen / Blank, Lars M / Rother, Dörte / Klankermayer, Jürgen / Jupke, Andreas

    Communications chemistry

    2023  Volume 6, Issue 1, Page(s) 253

    Abstract: To reduce carbon dioxide emissions, carbon-neutral fuels have recently gained renewed attention. Here we show the development and evaluation of process routes for the production of such a fuel, the cyclic acetal 4,5-dimethyl-1,3-dioxolane, from glucose ... ...

    Abstract To reduce carbon dioxide emissions, carbon-neutral fuels have recently gained renewed attention. Here we show the development and evaluation of process routes for the production of such a fuel, the cyclic acetal 4,5-dimethyl-1,3-dioxolane, from glucose via 2,3-butanediol. The selected process routes are based on the sequential use of microbes, enzymes and chemo-catalysts in order to exploit the full potential of the different catalyst systems through a tailor-made combination. The catalysts (microbes, enzymes, chemo-catalysts) and the reaction medium selected for each conversion step are key factors in the development of the respective production methods. The production of the intermediate 2,3-butanediol by combined microbial and enzyme catalysis is compared to the conventional microbial route from glucose in terms of specific energy demand and overall yield, with the conventional route remaining more efficient. In order to be competitive with current 2,3-butanediol production, the key performance indicator, enzyme stability to high aldehyde concentrations, needs to be increased. The target value for the enzyme stability is an acetaldehyde concentration of 600 mM, which is higher than the current maximum concentration (200 mM) by a factor of three.
    Language English
    Publishing date 2023-11-16
    Publishing country England
    Document type Journal Article
    ZDB-ID 2929562-2
    ISSN 2399-3669 ; 2399-3669
    ISSN (online) 2399-3669
    ISSN 2399-3669
    DOI 10.1038/s42004-023-01052-8
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  9. Article ; Online: Multicomponent diffusion coefficients from microfluidics using Raman microspectroscopy.

    Peters, Christine / Wolff, Ludger / Haase, Sandra / Thien, Julia / Brands, Thorsten / Koß, Hans-Jürgen / Bardow, André

    Lab on a chip

    2017  Volume 17, Issue 16, Page(s) 2768–2776

    Abstract: Diffusion is slow. Thus, diffusion experiments are intrinsically time-consuming and laborious. Additionally, the experimental effort is multiplied for multicomponent systems as the determination of multicomponent diffusion coefficients typically requires ...

    Abstract Diffusion is slow. Thus, diffusion experiments are intrinsically time-consuming and laborious. Additionally, the experimental effort is multiplied for multicomponent systems as the determination of multicomponent diffusion coefficients typically requires several experiments. To reduce the experimental effort, we present the first microfluidic diffusion measurement method for multicomponent liquid systems. The measurement setup combines a microfluidic chip with Raman microspectroscopy. Excellent agreement between experimental results and literature data is achieved for the binary system cyclohexane + toluene and the ternary system 1-propanol + 1-chlorobutane + heptane. The Fick diffusion coefficients are obtained from fitting a multicomponent convection-diffusion model to the mole fractions measured in experiments. Ternary diffusion coefficients can be obtained from a single experiment; high accuracy is already obtained from two experiments. Advantages of the presented measurement method are thus short measurement times, reduced sample consumption, and less experiments for the determination of a multicomponent diffusion coefficient.
    Language English
    Publishing date 2017-08-08
    Publishing country England
    Document type Journal Article
    ZDB-ID 2056646-3
    ISSN 1473-0189 ; 1473-0197
    ISSN (online) 1473-0189
    ISSN 1473-0197
    DOI 10.1039/c7lc00433h
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Book ; Thesis: Spektroskopische Untersuchungen zur Kraftstoffeinspritzung

    Koß, Hans-Jürgen

    1994  

    Author's details von Hans-Jürgen Koß
    Keywords CARS-Spektroskopie ; Raman-Spektroskopie ; Laserinduzierte Fluoreszenz ; Einspritzung ; Dieselmotor
    Language Undetermined
    Size 72 S, zahlr. Ill., graph. Darst
    Publisher Verl. der Augustinus Buchhandlung
    Publishing place Aachen
    Document type Book ; Thesis
    Thesis / German Habilitation thesis Zugl.: Aachen, Techn. Hochsch., Diss. : 1993
    ISBN 3860732307 ; 9783860732304
    Database Library catalogue of the German National Library of Science and Technology (TIB), Hannover

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