TY - JOUR A1 - Dutta, Suryendu A1 - Hartkopf-Fröder, Christoph A1 - Witte, Karin A1 - Brocke, Rainer A1 - Mann, Ulrich T1 - Molecular characterization of fossil palynomorphs by transmission micro-FTIR spectroscopy: implications for hydrocarbon source evaluation JF - International journal of coal geology Y1 - 2013 SN - 1872-7840 (E-Journal); 0166-5162 (Print) VL - Vol. 115 SP - 13 EP - 23 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Hentschke, Reinhard A1 - Hager, Jonathan A1 - Hojdis, Nils T1 - Molecular Modeling Approach to the Prediction of Mechanical Properties of Silica-Reinforced Rubbers JF - Journal of Applied Polymer Science N2 - Recently, we have suggested a nanomechanical model for dissipative loss in filled elastomer networks in the context of the Payne effect. The mechanism is based on a total interfiller particle force exhibiting an intermittent loop, due to the combination of short-range repulsion and dispersion forces with a long-range elastic attraction. The sum of these forces leads, under external strain, to a spontaneous instability of “bonds” between the aggregates in a filler network and attendant energy dissipation. Here, we use molecular dynamics simulations to obtain chemically realistic forces between surface modified silica particles. The latter are combined with the above model to estimate the loss modulus and the low strain storage modulus in elastomers containing the aforementioned filler-compatibilizer systems. The model is compared to experimental dynamic moduli of silica filled rubbers. We find good agreement between the model predictions and the experiments as function of the compatibilizer's molecular structure and its bulk concentration. KW - theory and modeling KW - supramolecular structures KW - rubber KW - mechanical properties KW - elastomers Y1 - 2014 U6 - http://dx.doi.org/10.1002/app.40806 SN - 1097-4628 VL - 131 IS - 18 SP - 1 EP - 9 PB - Wiley CY - New York, NY ER - TY - JOUR A1 - Lauth, Jakob A1 - Hoelderich, W. A1 - Wagenblast, G. T1 - Molecular sieves containing azo dyes JF - Zeolites. 15 (1995), H. 2 Y1 - 1995 SN - 0144-2449 SP - 184 ER - TY - JOUR A1 - Meyer, Jan A1 - Hentschke, Reinhard A1 - Hager, Jonathan A1 - Hojdis, Nils A1 - Karimi-Varzaneh, Hossein Ali T1 - Molecular Simulation of Viscous Dissipation due to Cyclic Deformation of a Silica–Silica Contact in Filled Rubber JF - Macromolecules Y1 - 2017 U6 - http://dx.doi.org/10.1021/acs.macromol.7b00947 SN - 1520-5835 VL - 50 IS - 17 SP - 6679 EP - 6689 ER - TY - JOUR A1 - Mang, Thomas A1 - Haulena, Friedhelm T1 - Monodisperse latex particles with functional groups JF - Modification of polymers : 4th Dresden Polymer Discussion ; September 22 to 25, 1992 at Gaussig / Dresden University of Technology, Department of Macromolecular Chemistry and Textile Chemistry; Institute of Polymer Technology Dresden. [Organizers: Claudia Kummerlöwe ...] Y1 - 1992 N1 - Dresdner Polymer Discussion <4, 1992, Gaußig> SP - 68 EP - 88 PB - Univ. CY - Dresden ER - TY - JOUR A1 - Adels, Klaudia A1 - Elbers, Gereon A1 - Diehl, Bernd A1 - Monakhova, Yulia T1 - Multicomponent analysis of dietary supplements containing glucosamine and chondroitin: comparative low- and high-field NMR spectroscopic study JF - Analytical Sciences N2 - With the prevalence of glucosamine- and chondroitin-containing dietary supplements for people with osteoarthritis in the marketplace, it is important to have an accurate and reproducible analytical method for the quantitation of these compounds in finished products. NMR spectroscopic method based both on low- (80 MHz) and high- (500–600 MHz) field NMR instrumentation was established, compared and validated for the determination of chondroitin sulfate and glucosamine in dietary supplements. The proposed method was applied for analysis of 20 different dietary supplements. In the majority of cases, quantification results obtained on the low-field NMR spectrometer are similar to those obtained with high-field 500–600 MHz NMR devices. Validation results in terms of accuracy, precision, reproducibility, limit of detection and recovery demonstrated that the developed method is fit for purpose for the marketed products. The NMR method was extended to the analysis of methylsulfonylmethane, adulterant maltodextrin, acetate and inorganic ions. Low-field NMR can be a quicker and cheaper alternative to more expensive high-field NMR measurements for quality control of the investigated dietary supplements. High-field NMR instrumentation can be more favorable for samples with complex composition due to better resolution, simultaneously giving the possibility of analysis of inorganic species such as potassium and chloride. KW - Glucosamine KW - Chondroitin sulfate KW - Polysaccharides KW - Dietary supplements KW - High-field NMR Y1 - 2023 U6 - http://dx.doi.org/10.1007/s44211-023-00433-2 SN - 1348-2246 (Online) SN - 0910-6340 (Print) N1 - Corresponding author: Yulia Monakhova VL - 2023 PB - Springer Verlag CY - Cham ER - TY - JOUR A1 - Monakhova, Yulia A1 - Diehl, Bernd W.K. T1 - Multinuclear NMR screening of pharmaceuticals using standardization by 2H integral of a deuterated solvent JF - Journal of Pharmaceutical and Biomedical Analysis N2 - 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. KW - NMR spectroscopy KW - Inorganic ions KW - Heparin KW - Standardization Y1 - 2022 SN - 0731-7085 U6 - http://dx.doi.org/10.1016/j.jpba.2021.114530 VL - 209 IS - Article number: 114530 PB - Elsevier ER - TY - JOUR A1 - Prielmeier, Franz A1 - Lang, E. W. T1 - Multinuclear Spin-Lattice Relaxation Time Studies of Supercooled Aqueous LiCl-Solutions / E .W. Lang, F. X. Prielmeier JF - Berichte der Bunsen-Gesellschaft für Physikalische Chemie. 92 (1988) Y1 - 1988 SN - 0005-9021 SP - 717 ER - TY - JOUR A1 - Svaneborg, Carsten A1 - Karimi-Varzaneh, Hossein Ali A1 - Hojdis, Nils A1 - Fleck, Franz A1 - Everaers, Ralf T1 - Multiscale approach to equilibrating model polymer melts JF - Physical Review E N2 - We present an effective and simple multiscale method for equilibrating Kremer Grest model polymer melts of varying stiffness. In our approach, we progressively equilibrate the melt structure above the tube scale, inside the tube and finally at the monomeric scale. We make use of models designed to be computationally effective at each scale. Density fluctuations in the melt structure above the tube scale are minimized through a Monte Carlo simulated annealing of a lattice polymer model. Subsequently the melt structure below the tube scale is equilibrated via the Rouse dynamics of a force-capped Kremer-Grest model that allows chains to partially interpenetrate. Finally the Kremer-Grest force field is introduced to freeze the topological state and enforce correct monomer packing. We generate 15 melts of 500 chains of 10.000 beads for varying chain stiffness as well as a number of melts with 1.000 chains of 15.000 monomers. To validate the equilibration process we study the time evolution of bulk, collective, and single-chain observables at the monomeric, mesoscopic, and macroscopic length scales. Extension of the present method to longer, branched, or polydisperse chains, and/or larger system sizes is straightforward. Y1 - 2016 U6 - http://dx.doi.org/10.1103/PhysRevE.94.032502 SN - 2470-0053 VL - 94 IS - 032502 PB - AIP Publishing CY - Melville, NY ER - TY - JOUR A1 - Baumann, Marcus A1 - Gronsfeld, A. A1 - Schütz-Lembach, G. T1 - Nachdenklichkeit über Nachhaltigkeit : wie uns ein neues Wort alte Probleme neu entdecken läßt JF - Wechselwirkung : Wissenschaft & vernetztes Denken Y1 - 1997 SN - 0172-1623 VL - 19 IS - 87 SP - 6 EP - 11 ER - TY - JOUR A1 - Druckenmüller, Katharina A1 - Günther, Klaus A1 - Elbers, Gereon T1 - Near-infrared spectroscopy (NIRS) as a tool to monitor exhaust air from poultry operations JF - Science of the Total Environment N2 - Intensive poultry operation systems emit a considerable volume of inorganic and organic matter in the surrounding environment. Monitoring cleaning properties of exhaust air cleaning systems and to detect small but significant changes in emission characteristics during a fattening cycle is important for both emission and fattening process control. In the present study, we evaluated the potential of near-infrared spectroscopy (NIRS) combined with chemometric techniques as a monitoring tool of exhaust air from poultry operation systems. To generate a high-quality data set for evaluation, the exhaust air of two poultry houses was sampled by applying state-of-the-art filter sampling protocols. The two stables were identical except for one crucial difference, the presence or absence of an exhaust air cleaning system. In total, twenty-one exhaust air samples were collected at the two sites to monitor spectral differences caused by the cleaning device, and to follow changes in exhaust air characteristics during a fattening period. The total dust load was analyzed by gravimetric determination and included as a response variable in multivariate data analysis. The filter samples were directly measured with NIR spectroscopy. Principal component analysis (PCA), linear discriminant analysis (LDA), and factor analysis (FA) were effective in classifying the NIR exhaust air spectra according to fattening day and origin. The results indicate that the dust load and the composition of exhaust air (inorganic or organic matter) substantially influence the NIR spectral patterns. In conclusion, NIR spectroscopy as a tool is a promising and very rapid way to detect differences between exhaust air samples based on still not clearly defined circumstances triggered during a fattening period and the availability of an exhaust air cleaning system. Y1 - 2018 U6 - http://dx.doi.org/10.1016/j.scitotenv.2018.02.072 SN - 0048-9697 VL - 630 SP - 536 EP - 543 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Biselli, Manfred A1 - Jelinek, N. A1 - Schmidt, S. A1 - Hilbert, U. T1 - Neue Bioreaktoren zur Kultivierung hämatopoetischer Zellen / Jelinek, N. ; Schmidt, S. ; Hilbert, U. ; Thoma, S. ; Biselli, M. ; Wandrey, C. JF - Chemie Ingenieur Technik. 73 (2001), H. 7 Y1 - 2001 SN - 0009-286X SP - 894 EP - 898 ER - TY - JOUR A1 - Selmer, Thorsten A1 - Pierik, Antonio J. A1 - Heider, Johann T1 - New glycyl radical enzymes catalysing key metabolic steps in anaerobic bacteria JF - Biological Chemistry. 386 (2005), H. 10 Y1 - 2005 SN - 1431-6730 SP - 981 EP - 988 ER - TY - JOUR A1 - Scherer, Ulrich W. A1 - Kratz, J. V. A1 - Gober, M. K. A1 - Zimmermann, H. P. T1 - New nuclide 263 105 / J.V. Kratz, M.K. Gober, H.P. Zimmermann, M. Schädel, W. Brüchle, E. Schimpf, K.E. Gregorich, A. Türler, N.J. Hannink, K.R. Czerwinski, B. Kadkhodayan, D.M. Lee, M.J. Nurmia, D.C. Hoffman, H. Gäggeler, D. Jost, U.W. Scherer, A. Weber JF - Physical Review C . 45 (1992) Y1 - 1992 SP - 1064 EP - 1069 ER - TY - JOUR A1 - Falkenberg, Fabian A1 - Voß, Leonie A1 - Bott, Michael A1 - Bongaerts, Johannes A1 - Siegert, Petra T1 - New robust subtilisins from halotolerant and halophilic Bacillaceae JF - Applied Microbiology and Biotechnology N2 - The aim of the present study was the characterisation of three true subtilisins and one phylogenetically intermediate subtilisin from halotolerant and halophilic microorganisms. Considering the currently growing enzyme market for efficient and novel biocatalysts, data mining is a promising source for novel, as yet uncharacterised enzymes, especially from halophilic or halotolerant Bacillaceae, which offer great potential to meet industrial needs. Both halophilic bacteria Pontibacillus marinus DSM 16465ᵀ and Alkalibacillus haloalkaliphilus DSM 5271ᵀ and both halotolerant bacteria Metabacillus indicus DSM 16189 and Litchfieldia alkalitelluris DSM 16976ᵀ served as a source for the four new subtilisins SPPM, SPAH, SPMI and SPLA. The protease genes were cloned and expressed in Bacillus subtilis DB104. Purification to apparent homogeneity was achieved by ethanol precipitation, desalting and ion-exchange chromatography. Enzyme activity could be observed between pH 5.0–12.0 with an optimum for SPPM, SPMI and SPLA around pH 9.0 and for SPAH at pH 10.0. The optimal temperature for SPMI and SPLA was 70 °C and for SPPM and SPAH 55 °C and 50 °C, respectively. All proteases showed high stability towards 5% (w/v) SDS and were active even at NaCl concentrations of 5 M. The four proteases demonstrate potential for future biotechnological applications. KW - Biotechnological application KW - Bacillaceae KW - Subtilisin KW - Subtilases KW - Halotolerant protease Y1 - 2023 U6 - http://dx.doi.org/10.1007/s00253-023-12553-w SN - 1432-0614 N1 - Corresponding author: Petra Siegert VL - 107 SP - 3939 EP - 3954 PB - Springer Nature CY - Berlin ER - TY - JOUR A1 - Thiel, Alexander A1 - Tippkötter, Nils A1 - Suck, Kirstin A1 - Sohling, Ulrich A1 - Ruf, Friedrich A1 - Ulber, Roland T1 - New zeolite adsorbents for downstream processing of polyphenols from renewable resources JF - Engineering in Life Sciences N2 - Commercial materials with polyvinylpolypyrrolidone and polymeric amberlites (XAD7HP, XAD16) are commonly used for the adsorptive downstream processing of polyphenols from renewable resources. In this study, beta-zeolite-based adsorbent systems were examined, and their properties were compared to organic resins. Batch adsorption experiments were conducted with synthetic solutions of major polyphenols. Adsorption isotherms and desorption characteristics of individual adsorbent were determined based on these results. Maximum adsorption capacities were calculated using the Langmuir model. For example, the zeolites had capacities up to 203.2 mg/g for ferulic acid. To extend these results to a complex system, additional experiments were performed on rapeseed meal and wheat seed extracts as representative renewable resources. HPLC analysis showed that with 7.5% w/v, which is regarded as the optimum amount of zeolites, zeolites A and B could bind 100% of the major polyphenols as well as release polyphenols at high yields. Additionally, regeneration experiments were performed with isopropyl alcohol at 99°C to evaluate how zeolites regenerate under mild conditions. The results showed only a negligible loss of adsorption capacity and no loss of desorption capacity. In summary, it was concluded that beta-zeolites were promising adsorbents for developing new processes to isolate polyphenols from renewable resources. Y1 - 2013 U6 - http://dx.doi.org/10.1002/elsc.201200188 VL - 13 IS - 3 SP - 239 EP - 246 PB - Wiley CY - Weinheim ER - TY - JOUR A1 - Elbers, Gereon A1 - Gäb, Martina A1 - Hoffmann, Katharina A1 - Lobe, Melanie T1 - NIR-spectroscopic investigation of foliage of ozone-stressed Fagus sylvatica trees / Gäb, Martina ; Hoffmann, Katharina ; Lobe, Melanie ; Metzger, Rut ; Ooyen, Sven van ; Elbers, Gereon ; Köllner, Barbara JF - Journal of Forest Research. 11 (2006), H. 2 Y1 - 2006 SN - 1341-6979 SP - 69 EP - 75 ER - TY - JOUR A1 - Tippkötter, Nils A1 - Roikaew, W. A1 - Ulber, R. T1 - Nitrate removal from whey concentrate with biotechnological regeneration of the waste water JF - European dairy magazine : EDM Y1 - 2008 SN - 0936-6318 IS - 1 SP - 30 EP - 32 ER - TY - JOUR A1 - Tippkötter, Nils A1 - Roikaew, N. A1 - Ulber, R. T1 - Nitratentfernung aus Molkekonzentrat mit biotechnologischer Regeneration der Abwässer JF - Deutsche Milchwirtschaft Y1 - 2007 SN - 0012-0480 VL - 58 IS - 15 SP - 540 EP - 542 ER - TY - JOUR A1 - Ulber, Roland A1 - Tippkötter, Nils T1 - Nitratfreie Molke JF - Rundschau für Fleischhygiene und Lebensmittelüberwachung Y1 - 2009 IS - 4 SP - 150 EP - 152 ER -