@article{BurmistrovaSobolevaMonakhova2021, author = {Burmistrova, Natalia A. and Soboleva, Polina M. and Monakhova, Yulia}, title = {Is infrared spectroscopy combined with multivariate analysis a promising tool for heparin authentication?}, series = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {194}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, number = {Article number: 113811}, publisher = {Elsevier}, address = {Amsterdam}, isbn = {0731-7085}, doi = {10.1016/j.jpba.2020.113811}, year = {2021}, abstract = {The investigation of the possibility to determine various characteristics of powder heparin (n = 115) was carried out with infrared spectroscopy. The evaluation of heparin samples included several parameters such as purity grade, distributing company, animal source as well as heparin species (i.e. Na-heparin, Ca-heparin, and heparinoids). Multivariate analysis using principal component analysis (PCA), soft independent modelling of class analogy (SIMCA), and partial least squares - discriminant analysis (PLS-DA) were applied for the modelling of spectral data. Different pre-processing methods were applied to IR spectral data; multiplicative scatter correction (MSC) was chosen as the most relevant. Obtained results were confirmed by nuclear magnetic resonance (NMR) spectroscopy. Good predictive ability of this approach demonstrates the potential of IR spectroscopy and chemometrics for screening of heparin quality. This approach, however, is designed as a screening tool and is not considered as a replacement for either of the methods required by USP and FDA.}, language = {en} } @article{BurgerRumpfDoetal.2021, author = {Burger, Ren{\´e} and Rumpf, Jessica and Do, Xuan Tung and Monakhova, Yulia and Diehl, Bernd W. K. and Rehahn, Matthias and Schulze, Margit}, title = {Is NMR combined with multivariate regression applicable for the molecular weight determination of randomly cross-linked polymers such as lignin?}, series = {ACS Omega}, volume = {6}, journal = {ACS Omega}, number = {44}, publisher = {ACS Publications}, address = {Washington, DC}, issn = {2470-1343}, doi = {10.1021/acsomega.1c03574}, pages = {29516 -- 29524}, year = {2021}, abstract = {The molecular weight properties of lignins are one of the key elements that need to be analyzed for a successful industrial application of these promising biopolymers. In this study, the use of 1H NMR as well as diffusion-ordered spectroscopy (DOSY NMR), combined with multivariate regression methods, was investigated for the determination of the molecular weight (Mw and Mn) and the polydispersity of organosolv lignins (n = 53, Miscanthus x giganteus, Paulownia tomentosa, and Silphium perfoliatum). The suitability of the models was demonstrated by cross validation (CV) as well as by an independent validation set of samples from different biomass origins (beech wood and wheat straw). CV errors of ca. 7-9 and 14-16\% were achieved for all parameters with the models from the 1H NMR spectra and the DOSY NMR data, respectively. The prediction errors for the validation samples were in a similar range for the partial least squares model from the 1H NMR data and for a multiple linear regression using the DOSY NMR data. The results indicate the usefulness of NMR measurements combined with multivariate regression methods as a potential alternative to more time-consuming methods such as gel permeation chromatography.}, language = {en} } @article{LindnerBurgerRutledgeetal.2022, author = {Lindner, Simon and Burger, Ren{\´e} and Rutledge, Douglas N. and Do, Xuan Tung and Rumpf, Jessica and Diehl, Bernd W. K. and Schulze, Margit and Monakhova, Yulia}, title = {Is the calibration transfer of multivariate calibration models between high- and low-field NMR instruments possible? A case study of lignin molecular weight}, series = {Analytical chemistry}, volume = {94}, journal = {Analytical chemistry}, number = {9}, publisher = {ACS Publications}, address = {Washington, DC}, isbn = {1520-6882}, doi = {10.1021/acs.analchem.1c05125}, pages = {3997 -- 4004}, year = {2022}, abstract = {Although several successful applications of benchtop nuclear magnetic resonance (NMR) spectroscopy in quantitative mixture analysis exist, the possibility of calibration transfer remains mostly unexplored, especially between high- and low-field NMR. This study investigates for the first time the calibration transfer of partial least squares regressions [weight average molecular weight (Mw) of lignin] between high-field (600 MHz) NMR and benchtop NMR devices (43 and 60 MHz). For the transfer, piecewise direct standardization, calibration transfer based on canonical correlation analysis, and transfer via the extreme learning machine auto-encoder method are employed. Despite the immense resolution difference between high-field and low-field NMR instruments, the results demonstrate that the calibration transfer from high- to low-field is feasible in the case of a physical property, namely, the molecular weight, achieving validation errors close to the original calibration (down to only 1.2 times higher root mean square errors). These results introduce new perspectives for applications of benchtop NMR, in which existing calibrations from expensive high-field instruments can be transferred to cheaper benchtop instruments to economize.}, language = {en} } @article{KalbeKuropkaMeyerStorketal.1988, author = {Kalbe, Jochen and Kuropka, Rolf and Meyer-Stork, L. Sebastian and Berndt, Heinz and [u.a.],}, title = {Isolation and characterization of high-molecular mass DNA from hair shafts}, series = {Biological chemistry}, volume = {369}, journal = {Biological chemistry}, number = {1}, isbn = {0177-3593}, doi = {10.1515/bchm3.1988.369.1.413}, pages = {413 -- 416}, year = {1988}, language = {en} } @incollection{ScheerChuSalphatietal.2016, author = {Scheer, Nico and Chu, Xiaoyan and Salphati, Laurent and Zamek-Gliszczynski, Maciej J.}, title = {Knockout and humanized animal models to study membrane transporters in drug development}, series = {Drug Transporters: Volume 1: Role and Importance in ADME and Drug Development}, booktitle = {Drug Transporters: Volume 1: Role and Importance in ADME and Drug Development}, editor = {Nicholls, Glynis}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, isbn = {978-1-78262-379-3}, doi = {10.1039/9781782623793-00298}, pages = {298 -- 332}, year = {2016}, language = {en} } @article{SvaneborgKarimiVarzanehHojdisetal.2018, author = {Svaneborg, Carsten and Karimi-Varzaneh, Hossein Ali and Hojdis, Nils and Fleck, Franz and Everaers, Ralf}, title = {Kremer-Grest Models for Universal Properties of Specific Common Polymer Species}, series = {Soft Condensed Matter}, journal = {Soft Condensed Matter}, number = {1606.05008}, year = {2018}, abstract = {The Kremer-Grest (KG) bead-spring model is a near standard in Molecular Dynamic simulations of generic polymer properties. It owes its popularity to its computational efficiency, rather than its ability to represent specific polymer species and conditions. Here we investigate how to adapt the model to match the universal properties of a wide range of chemical polymers species. For this purpose we vary a single parameter originally introduced by Faller and M{\"u}ller-Plathe, the chain stiffness. Examples include polystyrene, polyethylene, polypropylene, cis-polyisoprene, polydimethylsiloxane, polyethyleneoxide and styrene-butadiene rubber. We do this by matching the number of Kuhn segments per chain and the number of Kuhn segments per cubic Kuhn volume for the polymer species and for the Kremer-Grest model. We also derive mapping relations for converting KG model units back to physical units, in particular we obtain the entanglement time for the KG model as function of stiffness allowing for a time mapping. To test these relations, we generate large equilibrated well entangled polymer melts, and measure the entanglement moduli using a static primitive-path analysis of the entangled melt structure as well as by simulations of step-strain deformation of the model melts. The obtained moduli for our model polymer melts are in good agreement with the experimentally expected moduli.}, language = {en} } @article{EveraersKarimiVarzanehFlecketal.2020, author = {Everaers, Ralf and Karimi-Varzaneh, Hossein Ali and Fleck, Franz and Hojdis, Nils and Svaneborg, Carsten}, title = {Kremer-Grest Models for Commodity Polymer Melts: Linking Theory, Experiment, and Simulation at the Kuhn Scale}, series = {Macromolecules}, volume = {53}, journal = {Macromolecules}, number = {6}, publisher = {ACS Publications}, address = {Washington, DC}, issn = {1520-5835}, doi = {10.1021/acs.macromol.9b02428}, pages = {1901 -- 1916}, year = {2020}, abstract = {The Kremer-Grest (KG) polymer model is a standard model for studying generic polymer properties in molecular dynamics simulations. It owes its popularity to its simplicity and computational efficiency, rather than its ability to represent specific polymers species and conditions. Here we show that by tuning the chain stiffness it is possible to adapt the KG model to model melts of real polymers. In particular, we provide mapping relations from KG to SI units for a wide range of commodity polymers. The connection between the experimental and the KG melts is made at the Kuhn scale, i.e., at the crossover from the chemistry-specific small scale to the universal large scale behavior. We expect Kuhn scale-mapped KG models to faithfully represent universal properties dominated by the large scale conformational statistics and dynamics of flexible polymers. In particular, we observe very good agreement between entanglement moduli of our KG models and the experimental moduli of the target polymers.}, language = {en} } @article{SchererKratzSchaedeletal.1988, author = {Scherer, Ulrich W. and Kratz, J. V. and Sch{\"a}del, M. and Br{\"u}chle, W.}, title = {Lawrencium Chemistry: No Evidence for Oxidation States Lower than 3+ in Aqueous Solution / U.W. Scherer, J.V. Kratz, M. Sch{\"a}del, W. Br{\"u}chle, K.E. Gregorich, R.A. Henderson, D. Lee, M. Nurmia, D.C. Hoffman}, series = {Inorganica Chimica Acta. 146 (1988)}, journal = {Inorganica Chimica Acta. 146 (1988)}, isbn = {0020-1693}, pages = {249 -- 254}, year = {1988}, language = {en} } @article{WeldenJablonskiWegeetal.2021, author = {Welden, Rene and Jablonski, Melanie and Wege, Christina and Keusgen, Michael and Wagner, Patrick Hermann and Wagner, Torsten and Sch{\"o}ning, Michael Josef}, title = {Light-Addressable Actuator-Sensor Platform for Monitoring and Manipulation of pH Gradients in Microfluidics: A Case Study with the Enzyme Penicillinase}, series = {Biosensors}, volume = {11}, journal = {Biosensors}, number = {6}, publisher = {MDPI}, address = {Basel}, issn = {2079-6374}, doi = {10.3390/bios11060171}, pages = {Artikel 171}, year = {2021}, abstract = {The feasibility of light-addressed detection and manipulation of pH gradients inside an electrochemical microfluidic cell was studied. Local pH changes, induced by a light-addressable electrode (LAE), were detected using a light-addressable potentiometric sensor (LAPS) with different measurement modes representing an actuator-sensor system. Biosensor functionality was examined depending on locally induced pH gradients with the help of the model enzyme penicillinase, which had been immobilized in the microfluidic channel. The surface morphology of the LAE and enzyme-functionalized LAPS was studied by scanning electron microscopy. Furthermore, the penicillin sensitivity of the LAPS inside the microfluidic channel was determined with regard to the analyte's pH influence on the enzymatic reaction rate. In a final experiment, the LAE-controlled pH inhibition of the enzyme activity was monitored by the LAPS.}, language = {en} } @article{BreuerRaueKirschbaumetal.2015, author = {Breuer, Lars and Raue, Markus and Kirschbaum, M. and Mang, Thomas and Sch{\"o}ning, Michael Josef and Thoelen, R. and Wagner, Torsten}, title = {Light-controllable polymeric material based on temperature-sensitive hydrogels with incorporated graphene oxide}, series = {Physica status solidi (a)}, volume = {212}, journal = {Physica status solidi (a)}, number = {6}, publisher = {Wiley}, address = {Weinheim}, issn = {1862-6319}, doi = {10.1002/pssa.201431944}, pages = {1368 -- 1374}, year = {2015}, abstract = {Poly(N-isopropylacrylamide) (PNIPAAm) hydrogel films with incorporated graphene oxide (GO) were developed and tested as light-stimulated actuators. GO dispersions were synthesized via Hummers method and characterized toward their optical properties and photothermal energy conversion. The hydrogels were prepared by means of photopolymerization. In addition, the influence of GO within the hydrogel network on the lower critical solution temperature (LCST) was investigated by differential scanning calorimetry (DSC). The optical absorbance and the response to illumination were determined as a function of GO concentration for thin hydrogel films. A proof of principle for the stimulation with light was performed.}, language = {en} } @inproceedings{BreuerRaueMangetal.2015, author = {Breuer, Lars and Raue, Markus and Mang, Thomas and Sch{\"o}ning, Michael Josef and Thoelen, Ronald and Wagner, Torsten}, title = {Light-stimulated hydrogel actuators with incorporated graphene oxide for microfluidic applications}, series = {12. Dresdner Sensor-Symposium 2015}, booktitle = {12. Dresdner Sensor-Symposium 2015}, doi = {10.5162/12dss2015/P5.8}, pages = {206 -- 209}, year = {2015}, language = {en} } @article{BergsMonakhovaDiehletal.2021, author = {Bergs, Michel and Monakhova, Yulia and Diehl, Bernd W. and Konow, Christopher and V{\"o}lkering, Georg and Pude, Ralf and Schulze, Margit}, title = {Lignins isolated via catalyst-free organosolv pulping from Miscanthus x giganteus, M. sinensis, M. robustus and M. nagara: a comparative study}, series = {Molecules}, volume = {26}, journal = {Molecules}, number = {4}, publisher = {MDPI}, address = {Basel}, issn = {1420-3049}, doi = {10.3390/molecules26040842}, year = {2021}, abstract = {As a low-input crop, Miscanthus offers numerous advantages that, in addition to agricultural applications, permits its exploitation for energy, fuel, and material production. Depending on the Miscanthus genotype, season, and harvest time as well as plant component (leaf versus stem), correlations between structure and properties of the corresponding isolated lignins differ. Here, a comparative study is presented between lignins isolated from M. x giganteus, M. sinensis, M. robustus and M. nagara using a catalyst-free organosolv pulping process. The lignins from different plant constituents are also compared regarding their similarities and differences regarding monolignol ratio and important linkages. Results showed that the plant genotype has the weakest influence on monolignol content and interunit linkages. In contrast, structural differences are more significant among lignins of different harvest time and/or season. Analyses were performed using fast and simple methods such as nuclear magnetic resonance (NMR) spectroscopy. Data was assigned to four different linkages (A: β-O-4 linkage, B: phenylcoumaran, C: resinol, D: β-unsaturated ester). In conclusion, A content is particularly high in leaf-derived lignins at just under 70\% and significantly lower in stem and mixture lignins at around 60\% and almost 65\%. The second most common linkage pattern is D in all isolated lignins, the proportion of which is also strongly dependent on the crop portion. Both stem and mixture lignins, have a relatively high share of approximately 20\% or more (maximum is M. sinensis Sin2 with over 30\%). In the leaf-derived lignins, the proportions are significantly lower on average. Stem samples should be chosen if the highest possible lignin content is desired, specifically from the M. x giganteus genotype, which revealed lignin contents up to 27\%. Due to the better frost resistance and higher stem stability, M. nagara offers some advantages compared to M. x giganteus. Miscanthus crops are shown to be very attractive lignocellulose feedstock (LCF) for second generation biorefineries and lignin generation in Europe.}, language = {en} } @incollection{DuweTippkoetterUlber2018, author = {Duwe, A. and Tippk{\"o}tter, Nils and Ulber, R.}, title = {Lignocellulose-Biorefinery: Ethanol-Focused}, series = {Biorefineries}, booktitle = {Biorefineries}, publisher = {Springer}, address = {Cham}, doi = {10.1007/10_2016_72}, pages = {177 -- 215}, year = {2018}, abstract = {The development prospects of the world markets for petroleum and other liquid fuels are diverse and partly contradictory. However, comprehensive changes for the energy supply of the future are essential. Notwithstanding the fact that there are still very large deposits of energy resources from a geological point of view, the finite nature of conventional oil reserves is indisputable. To reduce our dependence on oil, the EU, the USA, and other major economic zones rely on energy diversification. For this purpose, alternative materials and technologies are being sought, and is most obvious in the transport sector. The objective is to progressively replace fossil fuels with renewable and more sustainable fuels. In this respect, biofuels have a pre-eminent position in terms of their capability of blending with fossil fuels and being usable in existing cars without substantial modification. Ethanol can be considered as the primary renewable liquid fuel. In this chapter enzymes, micro-organisms, and processes for ethanol production based on renewable resources are described.}, language = {en} } @inproceedings{PothMonzonTippkoetteretal.2010, author = {Poth, Sebastian and Monzon, Magaly and Tippk{\"o}tter, Nils and Ulber, Roland}, title = {Lignocellulosic biorefinery : process integration of hydrolysis and fermentation}, series = {Proceedings / 11th European Workshop on Lignocellulosics and Pulp : August 16 - 19, 2010, Hamburg, Germany}, booktitle = {Proceedings / 11th European Workshop on Lignocellulosics and Pulp : August 16 - 19, 2010, Hamburg, Germany}, publisher = {vTi}, address = {Hamburg}, pages = {65 -- 68}, year = {2010}, language = {en} } @article{PothMonzonTippkoetteretal.2011, author = {Poth, Sebastian and Monzon, Magaly and Tippk{\"o}tter, Nils and Ulber, Roland}, title = {Lignocellulosic biorefinery: Process integration of hydrolysis and fermentation (SSF process)}, series = {Holzforschung}, volume = {65}, journal = {Holzforschung}, number = {5}, publisher = {De Gruyter}, address = {Berlin}, pages = {633 -- 637}, year = {2011}, abstract = {The aim of the present work is the process integration and the optimization of the enzymatic hydrolysis of wood and the following fermentation of the products to ethanol. The substrate is a fiber fraction obtained by organosolv pre-treatment of beech wood. For the ethanol production, a co-fermentation by two different yeasts (Saccharomyces cerevisiae and Pachysolen tannophilus) was carried out to convert glucose as well as xylose. Two approaches has been followed: 1. A two step process, in which the hydrolysis of the fiber fraction and the fermentation to product are separated from each other. 2. A process, in which the hydrolysis and the fermentation are carried out in one single process step as simultaneous saccharification and fermentation (SSF). Following the first approach, a yield of about 0.15 g ethanol per gram substrate can be reached. Based on the SSF, one process step can be saved, and additionally, the gained yield can be raised up to 0.3 g ethanol per gram substrate.}, language = {en} } @article{PrielmeierHoerstermannGyngelletal.1992, author = {Prielmeier, Franz and H{\"o}rstermann, D. and Gyngell, M. L. and Merboldt, K.-D.}, title = {Localized Proton MRS of Acute and Chronic Gyperglycemia in Rat Brain in vivo / D. H{\"o}rstermann, F. Prielmeier , M. L. Gyngell, K.-D. Merboldt, W. H{\"a}nicke, J. Frahm}, series = {Book of Abstracts, SMRM, 11th Annual Meeting Berlin}, journal = {Book of Abstracts, SMRM, 11th Annual Meeting Berlin}, pages = {2740}, year = {1992}, language = {en} } @incollection{TippkoetterMoehringRothetal.2019, author = {Tippk{\"o}tter, Nils and M{\"o}hring, Sophie and Roth, Jasmine and Wulfhorst, Helene}, title = {Logistics of lignocellulosic feedstocks: preprocessing as a preferable option}, series = {Biorefineries}, booktitle = {Biorefineries}, publisher = {Springer}, address = {Cham}, isbn = {978-3-319-97117-9}, doi = {10.1007/10_2017_58}, pages = {43 -- 68}, year = {2019}, abstract = {In comparison to crude oil, biorefinery raw materials are challenging in concerns of transport and storage. The plant raw materials are more voluminous, so that shredding and compacting usually are necessary before transport. These mechanical processes can have a negative influence on the subsequent biotechnological processing and shelf life of the raw materials. Various approaches and their effects on renewable raw materials are shown. In addition, aspects of decentralized pretreatment steps are discussed. Another important aspect of pretreatment is the varying composition of the raw materials depending on the growth conditions. This problem can be solved with advanced on-site spectrometric analysis of the material.}, language = {en} } @article{SchmidtTurgutLeetal.2020, author = {Schmidt, Aaron C. and Turgut, Hatice and Le, Dao and Beloqui, Ana and Delaittre, Guillaume}, title = {Making the best of it: nitroxide-mediated polymerization of methacrylates via the copolymerization approach with functional styrenics}, series = {Polymer Chemistry}, volume = {11}, journal = {Polymer Chemistry}, number = {2}, publisher = {Royal Society of Chemistry (RSC)}, address = {Cambridge}, doi = {10.1039/C9PY01458F}, pages = {593 -- 604}, year = {2020}, abstract = {The SG1-mediated solution polymerization of methyl methacrylate (MMA) and oligo(ethylene glycol) methacrylate (OEGMA, Mₙ = 300 g mol⁻¹) in the presence of a small amount of functional/reactive styrenic comonomer is investigated. Moieties such as pentafluorophenyl ester, triphenylphosphine, azide, pentafluorophenyl, halide, and pyridine are considered. A comonomer fraction as low as 5 mol\% typically results in a controlled/living behavior, at least up to 50\% conversion. Chain extensions with styrene for both systems were successfully performed. Variation of physical properties such as refractive index (for MMA) and phase transition temperature (for OEGMA) were evaluated by comparing to 100\% pure homopolymers. The introduction of an activated ester styrene derivative in the polymerization of OEGMA allows for the synthesis of reactive and hydrophilic polymer brushes with defined thickness. Finally, using the example of pentafluorostyrene as controlling comonomer, it is demonstrated that functional PMMA-b-PS are able to maintain a phase separation ability, as evidenced by the formation of nanostructured thin films.}, language = {en} } @article{LiuSchaapBallemansetal.2017, author = {Liu, Z. and Schaap, K. S. and Ballemans, L. and de Blois, E. and Rohde, M. and Paulßen, Elisabeth}, title = {Measurement of reaction kinetics of [177Lu]Lu-DOTA-TATE using a microfluidic system}, series = {Dalton Transactions}, volume = {46}, journal = {Dalton Transactions}, number = {42}, issn = {1477-9234}, doi = {10.1039/C7DT01830D}, pages = {14669 -- 14676}, year = {2017}, language = {en} } @article{SeifarthGrosseGrossmannetal.2017, author = {Seifarth, Volker and Grosse, Joachim O. and Grossmann, Matthias and Janke, Heinz Peter and Arndt, Patrick and Koch, Sabine and Epple, Matthias and Artmann, Gerhard and Temiz Artmann, Ayseg{\"u}l}, title = {Mechanical induction of bi-directional orientation of primary porcine bladder smooth muscle cells in tubular fibrin-poly(vinylidene fluoride) scaffolds for ureteral and urethral repair using cyclic and focal balloon catheter stimulation}, series = {Journal of Biomaterials Applications}, volume = {32}, journal = {Journal of Biomaterials Applications}, number = {3}, publisher = {Sage}, address = {London}, issn = {1530-8022}, doi = {10.1177/0885328217723178}, pages = {321 -- 330}, year = {2017}, language = {en} } @article{InagakiSleddensLinkelsWassenaaretal.2011, author = {Inagaki, Akiko and Sleddens-Linkels, Esther and Wassenaar, Evelyne and Ooms, Marja and Cappellen, Wiggert A. van and Hoeijmakers, Jan H. J. and Seibler, Jost and Vogt, Thomas F. and Shin, Myung K. and Grootegoed, J. Anton and Baarends, Willy M.}, title = {Meiotic functions of RAD18}, series = {Journal of Cell Science}, volume = {124}, journal = {Journal of Cell Science}, number = {16}, publisher = {Company of Biologists Limited}, address = {Cambridge}, issn = {1477-9137}, doi = {10.1242/jcs.081968}, pages = {2837 -- 2850}, year = {2011}, language = {en} } @article{TrappLammersEngudaretal.2023, author = {Trapp, Svenja and Lammers, Tom and Engudar, Gokce and Hoehr, Cornelia and Denkova, Antonia G. and Paulßen, Elisabeth and de Kruijff, Robin M.}, title = {Membrane-based microfluidic solvent extraction of Ga-68 from aqueous Zn solutions: towards an automated cyclotron production loop}, series = {EJNMMI Radiopharmacy and Chemistry}, volume = {2023}, journal = {EJNMMI Radiopharmacy and Chemistry}, number = {8, Article number: 9}, publisher = {Springer Nature}, issn = {2365-421X}, doi = {10.1186/s41181-023-00195-2}, pages = {1 -- 14}, year = {2023}, language = {en} } @article{HarishWriggersJungketal.2016, author = {Harish, Ajay B. and Wriggers, Peter and Jungk, Juliane and Hojdis, Nils and Recker, Carla}, title = {Mesoscale Constitutive Modeling of Non-Crystallizing Filled Elastomers}, series = {Computational Mechanics}, volume = {57}, journal = {Computational Mechanics}, publisher = {Springer}, address = {Berlin}, issn = {1432-0924}, doi = {10.1007/s00466-015-1251-1}, pages = {653 -- 677}, year = {2016}, abstract = {Elastomers are exceptional materials owing to their ability to undergo large deformations before failure. However, due to their very low stiffness, they are not always suitable for industrial applications. Addition of filler particles provides reinforcing effects and thus enhances the material properties that render them more versatile for applications like tyres etc. However, deformation behavior of filled polymers is accompanied by several nonlinear effects like Mullins and Payne effect. To this day, the physical and chemical changes resulting in such nonlinear effect remain an active area of research. In this work, we develop a heterogeneous (or multiphase) constitutive model at the mesoscale explicitly considering filler particle aggregates, elastomeric matrix and their mechanical interaction through an approximate interface layer. The developed constitutive model is used to demonstrate cluster breakage, also, as one of the possible sources for Mullins effect observed in non-crystallizing filled elastomers.}, language = {en} } @article{BongaertsKraemerMuelleretal.2001, author = {Bongaerts, Johannes and Kr{\"a}mer, Marco and M{\"u}ller, Ulrike and Raeven, Leon and Wubbolts, Marcel}, title = {Metabolic engineering for microbial production of aromatic amino acids and derived compounds}, series = {Metabolic engineering}, volume = {Vol. 3}, journal = {Metabolic engineering}, number = {Iss. 4}, issn = {1096-7184 (E-Journal); 1096-7176 (Print)}, pages = {289 -- 300}, year = {2001}, language = {en} } @article{KraemerBongaertsBovenbergetal.2003, author = {Kr{\"a}mer, Marco and Bongaerts, Johannes and Bovenberg, Roel and Kremer, Susanne and M{\"u}ller, Ulrike and Orf, Sonja and Wubbolts, Marcel and Raeven, Leon}, title = {Metabolic engineering for microbial production of shikimic acid}, series = {Metabolic engineering}, volume = {Vol. 5}, journal = {Metabolic engineering}, number = {Iss. 4}, issn = {1096-7184 (E-Journal); 1096-7176 (Print)}, pages = {277 -- 283}, year = {2003}, language = {en} } @article{MuellerBongaertsBovenbergetal.2001, author = {M{\"u}ller, Ulrike and Bongaerts, Johannes and Bovenberg, Roel and Jossek, Ralf and Kr{\"a}mer, Marco and Linnemann, J. and M{\"u}schen, S. and Ritterbecks, S. and Sprenger, G. and Wubbolts, Marcel}, title = {Metabolic engineering to produce fine chemicals in Escherichia coli}, series = {Mededelingen van de Faculteit Landbouwwetenschappen, Rijksuniversiteit Gent}, volume = {66 (3a)}, journal = {Mededelingen van de Faculteit Landbouwwetenschappen, Rijksuniversiteit Gent}, issn = {0035-533x}, pages = {215 -- 217}, year = {2001}, language = {en} } @article{BongaertsBovenbergKraemeretal.2002, author = {Bongaerts, Johannes and Bovenberg, Roel and Kr{\"a}mer, Marco and M{\"u}ller, Ulrike and Raeven, Leon and Wubbolts, Marcel}, title = {Metabolic engineering to produce fine chemicals in Escherichia coli}, series = {Chemie - Ingenieur - Technik (CIT)}, volume = {Vol. 74}, journal = {Chemie - Ingenieur - Technik (CIT)}, number = {Iss. 5}, issn = {1522-2640 (E-Journal); 0009-286X (Print)}, pages = {694}, year = {2002}, language = {en} } @article{HuckSchiffelsHerreraetal.2013, author = {Huck, Christina and Schiffels, Johannes and Herrera, Cony N. and Schelden, Maximilian and Selmer, Thorsten and Poghossian, Arshak and Baumann, Marcus and Wagner, Patrick and Sch{\"o}ning, Michael Josef}, title = {Metabolic responses of Escherichia coli upon glucose pulses captured by a capacitive field-effect sensor}, series = {Physica Status Solidi (A)}, volume = {210}, journal = {Physica Status Solidi (A)}, number = {5}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {0031-8965}, doi = {10.1002/pssa.201200900}, pages = {926 -- 931}, year = {2013}, abstract = {Living cells are complex biological systems transforming metabolites taken up from the surrounding medium. Monitoring the responses of such cells to certain substrate concentrations is a challenging task and offers possibilities to gain insight into the vitality of a community influenced by the growth environment. Cell-based sensors represent a promising platform for monitoring the metabolic activity and thus, the "welfare" of relevant organisms. In the present study, metabolic responses of the model bacterium Escherichia coli in suspension, layered onto a capacitive field-effect structure, were examined to pulses of glucose in the concentration range between 0.05 and 2 mM. It was found that acidification of the surrounding medium takes place immediately after glucose addition and follows Michaelis-Menten kinetic behavior as a function of the glucose concentration. In future, the presented setup can, therefore, be used to study substrate specificities on the enzymatic level and may as well be used to perform investigations of more complex metabolic responses. Conclusions and perspectives highlighting this system are discussed.}, language = {en} } @article{WilmingBegemannKuhneetal.2013, author = {Wilming, Anja and Begemann, Jens and Kuhne, Stefan and Regestein, Lars and Bongaerts, Johannes and Evers, Stefan and Maurer, Karl-Heinz and B{\"u}chs, Jochen}, title = {Metabolic studies of γ-polyglutamic acid production in Bacillus licheniformis by small-scale continuous cultivations}, series = {Biochemical engineering journal}, volume = {Vol. 73}, journal = {Biochemical engineering journal}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1873-295X (E-Journal); 1369-703X (Print)}, pages = {29 -- 37}, year = {2013}, language = {en} } @misc{O'ConnellSiegertMaureretal.2010, author = {O'Connell, Timothy and Siegert, Petra and Maurer, Karl-Heinz and Schiedel, Marc-Steffen and Vockenroth, Inga Kerstin}, title = {Method for improving the cleaning action of a detergent or cleaning agent [Internationale Patentanmeldung]}, publisher = {WIPO}, address = {Genf}, pages = {1 -- 15}, year = {2010}, language = {en} } @misc{StadtmuellerTippkoetterUlber2015, author = {Stadtm{\"u}ller, Ralf and Tippk{\"o}tter, Nils and Ulber, Roland}, title = {Method for production of single-stranded macronucleotides}, year = {2015}, abstract = {The invention relates to a method for production of single-stranded macronucleotides by amplifying and ligating an extended monomeric single-stranded target nucleic acid sequence (targetss) into a repetitive cluster of double-stranded target nucleic acid sequences (targetds), and subsequently cloning the construct into a vector (aptagene vector). The aptagene vector is transformed into host cells for replication of the aptagene and isolated in order to optain single-stranded target sequences (targetss). The invention also relates to single-stranded nucleic acids, produced by a method of the invention.}, language = {en} } @article{SelmerPinkenburg2008, author = {Selmer, Thorsten and Pinkenburg, Olaf}, title = {Method of cloning at least one nucleic acid molecule of interest using type IIS restriction endonucleases, and corresponding cloning vectors, kits and system using type IIS restriction endonucleases / Selmer, Thorsten ; Pinkenburg, Olaf}, year = {2008}, language = {en} } @inproceedings{EngelThieringerTippkoetter2016, author = {Engel, M. and Thieringer, J. and Tippk{\"o}tter, Nils}, title = {Microbial electrosynthesis for sustainable biobutanol production}, series = {New frontiers of biotech-processes (Himmelfahrtstagung) : 02-04 May 2016, Rhein-Mosel-Halle, Koblenz/Germany}, booktitle = {New frontiers of biotech-processes (Himmelfahrtstagung) : 02-04 May 2016, Rhein-Mosel-Halle, Koblenz/Germany}, publisher = {DECHEMA}, address = {Frankfurt am Main}, pages = {77 -- 78}, year = {2016}, language = {en} } @article{BaeckerRaueSchusseretal.2012, author = {B{\"a}cker, Matthias and Raue, Markus and Schusser, Sebastian and Jeitner, C. and Breuer, L. and Wagner, P. and Poghossian, Arshak and F{\"o}rster, Arnold and Mang, Thomas and Sch{\"o}ning, Michael Josef}, title = {Microfluidic chip with integrated microvalves based on temperature- and pH-responsive hydrogel thin films}, series = {Physica Status Solidi (a)}, volume = {209}, journal = {Physica Status Solidi (a)}, number = {5}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1862-6319}, doi = {10.1002/pssa.201100763}, pages = {839 -- 845}, year = {2012}, abstract = {Two types of microvalves based on temperature-responsive poly(N-isopropylacrylamide) (PNIPAAm) and pH-responsive poly(sodium acrylate) (PSA) hydrogel films have been developed and tested. The PNIPAAm and PSA hydrogel films were prepared by means of in situ photopolymerization directly inside the fluidic channel of a microfluidic chip fabricated by combining Si and SU-8 technologies. The swelling/shrinking properties and height changes of the PNIPAAm and PSA films inside the fluidic channel were studied at temperatures of deionized water from 14 to 36 °C and different pH values (pH 3-12) of Titrisol buffer, respectively. Additionally, in separate experiments, the lower critical solution temperature (LCST) of the PNIPAAm hydrogel was investigated by means of a differential scanning calorimetry (DSC) and a surface plasmon resonance (SPR) method. Mass-flow measurements have shown the feasibility of the prepared hydrogel films to work as an on-chip integrated temperature- or pH-responsive microvalve capable to switch the flow channel on/off.}, language = {en} } @article{ScheerKapelyukhMcEwanetal.2012, author = {Scheer, Nico and Kapelyukh, Yury and McEwan, Jillian and Beuger, Vincent and Stanley, Lesley A. and Rode, Anja and Wolf, C. Roland}, title = {Modeling Human Cytochrome P450 2D6 Metabolism and Drug-drug Interaction by a Novel Panel of Knockout and Humanized Mouse Lines}, series = {Molecular Pharmacology}, volume = {81}, journal = {Molecular Pharmacology}, number = {1}, publisher = {ASPET}, address = {Bethesda, Md.}, issn = {1521-0111}, doi = {10.1124/mol.111.075192}, pages = {63 -- 72}, year = {2012}, abstract = {The highly polymorphic human cytochrome P450 2D6 enzyme is involved in the metabolism of up to 25\% of all marketed drugs and accounts for significant individual differences in response to CYP2D6 substrates. Because of the differences in the multiplicity and substrate specificity of CYP2D family members among species, it is difficult to predict pathways of human CYP2D6-dependent drug metabolism on the basis of animal studies. To create animal models that reflect the human situation more closely and that allow an in vivo assessment of the consequences of differential CYP2D6 drug metabolism, we have developed a novel straightforward approach to delete the entire murine Cyp2d gene cluster and replace it with allelic variants of human CYP2D6. By using this approach, we have generated mouse lines expressing the two frequent human protein isoforms CYP2D6.1 and CYP2D6.2 and an as yet undescribed variant of this enzyme, as well as a Cyp2d cluster knockout mouse. We demonstrate that the various transgenic mouse lines cover a wide spectrum of different human CYP2D6 metabolizer phenotypes. The novel humanization strategy described here provides a robust approach for the expression of different CYP2D6 allelic variants in transgenic mice and thus can help to evaluate potential CYP2D6-dependent interindividual differences in drug response in the context of personalized medicine.}, language = {en} } @article{MangKricheldorfAu1985, author = {Mang, Thomas and Kricheldorf, Hans R. and Au, M.}, title = {Models of molecular evolution. 2. Stereospecificity of dipeptide syntheses by means of cyanamides and carbodiimides / Kricheldorf, Hans R. ; Au, M. ; Mang, Thomas}, series = {International journal of peptide and protein research. 26 (1985), H. 2}, journal = {International journal of peptide and protein research. 26 (1985), H. 2}, isbn = {0300-9769}, pages = {149 -- 157}, year = {1985}, language = {en} } @article{OehlschlaegerSteinbergSehretal.2005, author = {{\"O}hlschl{\"a}ger, Peter and Steinberg, Thorsten and Sehr, Peter and Osen, Wolfram}, title = {Modification of HPV 16 E7 genes: correlation between the level of protein expression and CTL response after immunization of C57BL/6 mice / Steinberg, Thorsten ; {\"O}hlschl{\"a}ger, Peter ; Sehr, Peter ; Osen, Wolfram ; Gissmann, Lutz}, series = {Vaccine. 23 (2005), H. 9}, journal = {Vaccine. 23 (2005), H. 9}, isbn = {0264-410X}, pages = {1149 -- 1157}, year = {2005}, language = {en} } @article{WerkhausenAlbrachtCroninetal.2017, author = {Werkhausen, Amelie and Albracht, Kirsten and Cronin, Neil J. and Meier, Rahel and Mojsen-Moeller, Jens and Seynnes, Olivier R.}, title = {Modulation of muscle-tendon interaction in the human triceps surae during an energy dissipation task}, series = {Journal of Experimental Biology}, volume = {220}, journal = {Journal of Experimental Biology}, number = {22}, issn = {0022-0949}, doi = {10.1242/jeb.164111}, pages = {4141 -- 4149}, year = {2017}, language = {en} } @book{BaueerGilchRathetal.1990, author = {Ba{\"u}er, Herbert and Gilch, Heinz Gerhard and Rath, Walter and Sch{\"u}mann, Uwe}, title = {Moisture-curing polyurethane-based hot-melt compositions = Feuchth{\"a}rtbare Heisschmelz-Zusammensetzungen auf Polyurethanbasis}, publisher = {Europ{\"a}isches Patentamt}, address = {M{\"u}nchen}, year = {1990}, language = {en} } @book{GilchRath1995, author = {Gilch, Heinz Gerhard and Rath, Walter}, title = {Moisture-curing, polyurethane hot-melt compositions = Feuchtigkeitsh{\"a}rtende Polyurethan-Schmelzklebstoff-Zusammensetzungen}, publisher = {Europ{\"a}isches Patentamt}, address = {M{\"u}nchen}, year = {1995}, language = {en} } @incollection{MedlinBarkerBaumannetal.1994, author = {Medlin, L. K. and Barker, G. L. A. and Baumann, Marcus and Hayes, P. K.}, title = {Molecular biology and systematics}, series = {The Haptophyte Algae (Special volume / Systematics Association : 51)}, booktitle = {The Haptophyte Algae (Special volume / Systematics Association : 51)}, publisher = {Clarendon Press}, address = {Oxford}, isbn = {0-19-857772-9}, pages = {393 -- 411}, year = {1994}, language = {en} } @article{DuttaHartkopfFroederWitteetal.2013, author = {Dutta, Suryendu and Hartkopf-Fr{\"o}der, Christoph and Witte, Karin and Brocke, Rainer and Mann, Ulrich}, title = {Molecular characterization of fossil palynomorphs by transmission micro-FTIR spectroscopy: implications for hydrocarbon source evaluation}, series = {International journal of coal geology}, volume = {Vol. 115}, journal = {International journal of coal geology}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1872-7840 (E-Journal); 0166-5162 (Print)}, pages = {13 -- 23}, year = {2013}, language = {en} } @article{HentschkeHagerHojdis2014, author = {Hentschke, Reinhard and Hager, Jonathan and Hojdis, Nils}, title = {Molecular Modeling Approach to the Prediction of Mechanical Properties of Silica-Reinforced Rubbers}, series = {Journal of Applied Polymer Science}, volume = {131}, journal = {Journal of Applied Polymer Science}, number = {18}, publisher = {Wiley}, address = {New York, NY}, issn = {1097-4628}, doi = {10.1002/app.40806}, pages = {1 -- 9}, year = {2014}, abstract = {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.}, language = {en} } @article{LauthHoelderichWagenblast1995, author = {Lauth, Jakob and Hoelderich, W. and Wagenblast, G.}, title = {Molecular sieves containing azo dyes}, series = {Zeolites. 15 (1995), H. 2}, journal = {Zeolites. 15 (1995), H. 2}, isbn = {0144-2449}, pages = {184}, year = {1995}, language = {en} } @misc{LauthHoelderichWagenblast1996, author = {Lauth, Jakob and Hoelderich, Wolfgang and Wagenblast, Gerhard}, title = {Molecular sieves containing azo dyes : United States Patent ; patent number 5,573,585 ; date of patent: Nov. 12, 1996 / assignee: Wolfgang Hoelderich. Inventors: Guenter Lauth ; Wolfgang Hoelderich ; Gerhard Wagenblast ...}, publisher = {[United States Trademark and Patent Office]}, address = {[Alexandria, VA]}, pages = {15 S. : graph. Darst.}, year = {1996}, language = {en} } @book{LauthHoelderichWagenblast1993, author = {Lauth, Jakob and Hoelderich, Wolfgang and Wagenblast, Gerhard}, title = {Molecular sieves containing azo dyes ; Internationale [Pantent]anmeldung WO93/17965 ; Ver{\"o}ffentlichungsdatum: 16.09.1993 / Anmelder: BASF AG}, publisher = {Weltorganisation f{\"u}r geistiges Eigentum, Internat. B{\"u}ro}, address = {[Genf]}, pages = {45 S.}, year = {1993}, language = {en} } @article{MeyerHentschkeHageretal.2017, author = {Meyer, Jan and Hentschke, Reinhard and Hager, Jonathan and Hojdis, Nils and Karimi-Varzaneh, Hossein Ali}, title = {Molecular Simulation of Viscous Dissipation due to Cyclic Deformation of a Silica-Silica Contact in Filled Rubber}, series = {Macromolecules}, volume = {50}, journal = {Macromolecules}, number = {17}, issn = {1520-5835}, doi = {10.1021/acs.macromol.7b00947}, pages = {6679 -- 6689}, year = {2017}, language = {en} } @article{MangHaulena1992, author = {Mang, Thomas and Haulena, Friedhelm}, title = {Monodisperse latex particles with functional groups}, series = {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 Kummerl{\"o}we ...]}, journal = {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 Kummerl{\"o}we ...]}, publisher = {Univ.}, address = {Dresden}, pages = {68 -- 88}, year = {1992}, language = {en} } @misc{LauthTruebenbachHagemeyer1999, author = {Lauth, Jakob and Tr{\"u}benbach, Peter and Hagemeyer, Alfred}, title = {Monomodal and polymodal catalyst supports and catalysts having narrow pore size distributions and their production : United States Patent ; patent number 5,935,898 ; date of patent: Aug. 10, 1999 / assignee: BASF Aktiengesellschaft. Inventors: Peter Trubenbach ; Alfred Hagemeyer ; Gunter Lauth ...}, publisher = {[United States Patent and Trademark Office]}, address = {[Alexandria, VA]}, pages = {27 S. : graph. Darst.}, year = {1999}, language = {en} } @article{MonakhovaDiehl2022, author = {Monakhova, Yulia and Diehl, Bernd W.K.}, title = {Multinuclear NMR screening of pharmaceuticals using standardization by 2H integral of a deuterated solvent}, series = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {209}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, number = {Article number: 114530}, publisher = {Elsevier}, isbn = {0731-7085}, doi = {10.1016/j.jpba.2021.114530}, year = {2022}, abstract = {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.}, language = {en} }