@article{RauppSchmittWalzetal.2018, author = {Raupp, Sebastian M. and Schmitt, Marcel and Walz, Anna-Lena and Diehm, Ralf and Hummel, Helga and Scharfer, Philip and Schabel, Wilhelm}, title = {Slot die stripe coating of low viscous fluids}, series = {Journal of Coatings Technology and Research}, volume = {15}, journal = {Journal of Coatings Technology and Research}, number = {5}, publisher = {Springer}, issn = {1935-3804}, doi = {10.1007/s11998-017-0039-y}, pages = {899 -- 911}, year = {2018}, abstract = {Slot die coating is applied to deposit thin and homogenous films in roll-to-roll and sheet-to-sheet applications. The critical step in operation is to choose suitable process parameters within the process window. In this work, we investigate an upper limit for stripe coatings. This maximum film thickness is characterized by stripe merging which needs to be avoided in a stable process. It is shown that the upper limit reduces the process window for stripe coatings to a major extent. As a result, stripe coatings at large coating gaps and low viscosities are only possible for relatively thick films. Explaining the upper limit, a theory of balancing the side pressure in the gap region in the cross-web direction has been developed.}, language = {en} } @article{ScheerMclaughlinRodeetal.2014, author = {Scheer, Nico and Mclaughlin, Lesley A. and Rode, Anja and MacLeod, Alastair Kenneth and Henderson, Colin J. and Wolf, Roland C.}, title = {Deletion of thirty murine cytochrome P450 genes results in viable mice with compromised drug metabolism}, series = {Drug Metabolism and Disposition}, volume = {42}, journal = {Drug Metabolism and Disposition}, number = {6}, publisher = {ASPET}, address = {Bethesda, Md.}, issn = {1521-009X}, doi = {10.1124/dmd.114.057885}, pages = {1022 -- 1030}, year = {2014}, abstract = {In humans, 75\% of all drugs are metabolized by the cytochrome P450-dependent monooxygenase system. Enzymes encoded by the CYP2C, CYP2D, and CYP3A gene clusters account for ∼80\% of this activity. There are profound species differences in the multiplicity of cytochrome P450 enzymes, and the use of mouse models to predict pathways of drug metabolism is further complicated by overlapping substrate specificity between enzymes from different gene families. To establish the role of the hepatic and extrahepatic P450 system in drug and foreign chemical disposition, drug efficacy, and toxicity, we created a unique mouse model in which 30 cytochrome P450 genes from the Cyp2c, Cyp2d, and Cyp3a gene clusters have been deleted. Remarkably, despite a wide range of putative important endogenous functions, Cyp2c/2d/3a KO mice were viable and fertile, demonstrating that these genes have evolved primarily as detoxification enzymes. Although there was no overt phenotype, detailed examination showed Cyp2c/2d/3a KO mice had a smaller body size (15\%) and larger livers (20\%). Changes in hepatic morphology and a decreased blood glucose (30\%) were also noted. A five-drug cocktail of cytochrome P450 isozyme probe substrates were used to evaluate changes in drug pharmacokinetics; marked changes were observed in either the pharmacokinetics or metabolites formed from Cyp2c, Cyp2d, and Cyp3a substrates, whereas the metabolism of the Cyp1a substrate caffeine was unchanged. Thus, Cyp2c/2d/3a KO mice provide a powerful model to study the in vivo role of the P450 system in drug metabolism and efficacy, as well as in chemical toxicity.}, language = {en} } @article{ScheerBalimaneHaywardetal.2012, author = {Scheer, Nico and Balimane, Praveen and Hayward, Michael D. and Buechel, Sandra and Kauselmann, Gunther and Wolf, C. Roland}, title = {Generation and Characterization of a Novel Multidrug Resistance Protein 2 Humanized Mouse Line}, series = {Drug Metabolism and Disposition}, volume = {40}, journal = {Drug Metabolism and Disposition}, number = {11}, publisher = {ASPET}, address = {Bethesda, Md.}, issn = {1521-0111}, doi = {10.1124/dmd.112.047605}, pages = {2212 -- 2218}, year = {2012}, abstract = {The multidrug resistance protein (MRP) 2 is predominantly expressed in liver, intestine, and kidney, where it plays an important role in the excretion of a range of drugs and their metabolites or endogenous compounds into bile, feces, and urine. Mrp knockout [Mrp2(-/-)] mice have been used recently to study the role of MRP2 in drug disposition. Here, we describe the first generation and initial characterization of a mouse line humanized for MRP2 (huMRP2), which is nulled for the mouse Mrp2 gene and expresses the human transporter in the organs and cell types where MRP2 is normally expressed. Analysis of the mRNA expression for selected cytochrome P450 and transporter genes revealed no major changes in huMRP2 mice compared with wild-type controls. We show that human MRP2 is able to compensate functionally for the loss of the mouse transporter as demonstrated by comparable bilirubin levels in the humanized mice and wild-type controls, in contrast to the hyperbilirubinemia phenotype that is observed in MRP2(-/-) mice. The huMRP2 mouse provides a model to study the role of the human transporter in drug disposition and in assessing the in vivo consequences of inhibiting this transporter by compounds interacting with human MRP2.}, language = {en} } @article{ScheerKapelyukhRodeetal.2012, author = {Scheer, Nico and Kapelyukh, Yury and Rode, Anja and Buechel, Sandra and Wolf, C. Roland}, title = {Generation and characterization of novel cytochrome P450 Cyp2c gene cluster knockout and CYP2C9 humanized mouse lines}, series = {Molecular Pharmacology}, volume = {82}, journal = {Molecular Pharmacology}, number = {6}, publisher = {ASPET}, address = {Bethesda, Md.}, issn = {1521-0111}, doi = {10.1124/mol.112.080036}, pages = {1022 -- 1029}, year = {2012}, abstract = {Compared with rodents and many other animal species, the human cytochrome P450 (P450) Cyp2c gene cluster varies significantly in the multiplicity of functional genes and in the substrate specificity of its enzymes. As a consequence, the use of wild-type animal models to predict the role of human CYP2C enzymes in drug metabolism and drug-drug interactions is limited. Within the human CYP2C cluster CYP2C9 is of particular importance, because it is one of the most abundant P450 enzymes in human liver, and it is involved in the metabolism of a wide variety of important drugs and environmental chemicals. To investigate the in vivo functions of cytochrome P450 Cyp2c genes and to establish a model for studying the functions of CYP2C9 in vivo, we have generated a mouse model with a deletion of the murine Cyp2c gene cluster and a corresponding humanized model expressing CYP2C9 specifically in the liver. Despite the high number of functional genes in the mouse Cyp2c cluster and the reported roles of some of these proteins in different biological processes, mice deleted for Cyp2c genes were viable and fertile but showed certain phenotypic alterations in the liver. The expression of CYP2C9 in the liver also resulted in viable animals active in the metabolism and disposition of a number of CYP2C9 substrates. These mouse lines provide a powerful tool for studying the role of Cyp2c genes and of CYP2C9 in particular in drug disposition and as a factor in drug-drug interaction.}, language = {en} } @article{LempiaeinenCouttetBolognanietal.2012, author = {Lempi{\"a}inen, Harri and Couttet, Philippe and Bolognani, Federico and M{\"u}ller, Arne and Dubost, Val{\´e}rie and Luisier, Rapha{\"e}lle and Rio-Espinola, Alberto del and Vitry, Veronique and Unterberger, Elif B. and Thomson, John P. and Treindl, Fridolin and Metzger, Ute and Wrzodek, Clemens and Hahne, Florian and Zollinger, Tulipan and Brasa, Sarah and Kalteis, Magdalena and Marcellin, Magali and Giudicelli, Fanny and Braeuning, Albert and Morawiec, Laurent and Zamurovic, Natasa and L{\"a}ngle, Ulrich and Scheer, Nico and Sch{\"u}beler, Dirk and Goodman, Jay and Chibout, Salah-Dine and Marlowe, Jennifer and Theil, Dietlinde and Heard, David J. and Grenet, Olivier and Zell, Andreas and Templin, Markus F. and Meehan, Richard R. and Wolf, Roland C. and Elcombe, Clifford R. and Schwarz, Michael and Moulin, Pierre and Terranova, R{\´e}mi and Moggs, Jonathan G.}, title = {Identification of Dlk1-Dio3 imprinted gene cluster non-coding RNAs as novel candidate biomarkers for liver tumor promotion}, series = {Toxicological Sciences}, volume = {131}, journal = {Toxicological Sciences}, number = {2}, publisher = {Oxford University Press}, address = {Oxford}, issn = {1094-2025}, doi = {10.1093/toxsci/kfs303}, pages = {375 -- 386}, year = {2012}, abstract = {The molecular events during nongenotoxic carcinogenesis and their temporal order are poorly understood but thought to include long-lasting perturbations of gene expression. Here, we have investigated the temporal sequence of molecular and pathological perturbations at early stages of phenobarbital (PB) mediated liver tumor promotion in vivo. Molecular profiling (mRNA, microRNA [miRNA], DNA methylation, and proteins) of mouse liver during 13 weeks of PB treatment revealed progressive increases in hepatic expression of long noncoding RNAs and miRNAs originating from the Dlk1-Dio3 imprinted gene cluster, a locus that has recently been associated with stem cell pluripotency in mice and various neoplasms in humans. PB induction of the Dlk1-Dio3 cluster noncoding RNA (ncRNA) Meg3 was localized to glutamine synthetase-positive hypertrophic perivenous hepatocytes, sug- gesting a role for β-catenin signaling in the dysregulation of Dlk1-Dio3 ncRNAs. The carcinogenic relevance of Dlk1-Dio3 locus ncRNA induction was further supported by in vivo genetic dependence on constitutive androstane receptor and β-catenin pathways. Our data identify Dlk1-Dio3 ncRNAs as novel candidate early biomarkers for mouse liver tumor promotion and provide new opportunities for assessing the carcinogenic potential of novel compounds.}, language = {en} } @article{KapelyukhHendersonScheeretal.2019, author = {Kapelyukh, Yury and Henderson, Colin James and Scheer, Nico and Rode, Anja and Wolf, Charles Roland}, title = {Defining the contribution of CYP1A1 and CYP1A2 to drug metabolism using humanized CYP1A1/1A2 and Cyp1a1/Cyp1a2 KO mice}, series = {Drug Metabolism and Disposition}, journal = {Drug Metabolism and Disposition}, number = {Early view}, doi = {10.1124/dmd.119.087718}, pages = {43 Seiten}, year = {2019}, language = {en} } @inproceedings{HoffmannNierenGaebetal.2019, author = {Hoffmann, Katharina and Nieren, Monika and G{\"a}b, Martina and Kasper, Anna and Elbers, Gereon}, title = {The potential of near infrared spectroscopy (NIRS) for the environmental biomonitoring of plants}, series = {International conference on Life Sciences and Technology}, volume = {276}, booktitle = {International conference on Life Sciences and Technology}, number = {012009}, issn = {1755-1315}, doi = {10.1088/1755-1315/276/1/012009}, pages = {1 -- 3}, year = {2019}, abstract = {In the current environmental condition, the increase in pollution of the air, water, and soil indirectly will induce plants stress and decrease vegetation growth rate. These issues pay more attention to be solved by scientists worldwide. The higher level of chemical pollutants also induced the gradual changes in plants metabolism and decreased enzymatic activity. Importantly, environmental biomonitoring may play a pivotal contribution to prevent biodiversity degradation and plants stress due to pollutant exposure. Several previous studies have been done to monitor the effect of environmental changes on plants growth. Among that, Near Infrared spectroscopy (NIRS) offers an alternative way to observe the significant alteration of plant physiology caused by environmental damage related to pollution. Impairment of photosynthesis, nutrient and oxidative imbalances, and mutagenesis.}, language = {en} } @article{SchiffelsSelmer2019, author = {Schiffels, Johannes and Selmer, Thorsten}, title = {Combinatorial assembly of ferredoxin-linked modules in Escherichia coli yields a testing platform for Rnf-complexes}, series = {Biotechnology and Bioengineering}, journal = {Biotechnology and Bioengineering}, number = {accepted article}, publisher = {Wiley}, address = {Weinheim}, doi = {10.1002/bit.27079}, pages = {1 -- 36}, year = {2019}, language = {en} } @article{ScheerHendersonKapelyukhetal.2019, author = {Scheer, Nico and Henderson, Colin James and Kapelyukh, Yury and Rode, Anja and Mclaren, Aileen W. and MacLeod, Alastair Kenneth and Lin, De and Wright, Jayne and Stanley, Lesley and Wolf, C. Roland}, title = {An extensively humanised mouse model to predict pathways of drug disposition, drug/drug interactions, and to facilitate the design of clinical trials}, series = {Drug Metabolism and Disposition}, journal = {Drug Metabolism and Disposition}, number = {Early view}, doi = {10.1124/dmd.119.086397}, pages = {69 Seiten}, year = {2019}, language = {en} } @article{Delaittre2019, author = {Delaittre, Guillaume}, title = {Telechelic Poly(2-Oxazoline)s}, series = {European Polymer Journal}, journal = {European Polymer Journal}, number = {In Press, Journal Pre-proof, 109281}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2019.109281}, year = {2019}, language = {en} } @article{EngelGemuendeHoltmannetal.2019, author = {Engel, Mareike and Gem{\"u}nde, Andre and Holtmann, Dirk and M{\"u}ller-Renno, Christine and Ziegler, Christiane and Tippk{\"o}tter, Nils and Ulber, Roland}, title = {Clostridium acetobutylicum's connecting world: cell appendage formation in bioelectrochemical systems}, series = {ChemElectroChem}, journal = {ChemElectroChem}, number = {Accepted Article}, publisher = {Wiley}, address = {Weinheim}, issn = {2196-0216}, doi = {10.1002/celc.201901656}, year = {2019}, language = {en} } @article{ScheerWilson2016, author = {Scheer, Nico and Wilson, Ian D.}, title = {A comparison between genetically humanized and chimeric liver humanized mouse models for studies in drug metabolism and toxicity}, series = {Drug Discovery Today}, volume = {21}, journal = {Drug Discovery Today}, number = {2}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1359-6446}, doi = {10.1016/j.drudis.2015.09.002}, pages = {250 -- 263}, year = {2016}, abstract = {Mice that have been genetically humanized for proteins involved in drug metabolism and toxicity and mice engrafted with human hepatocytes are emerging and promising in vivo models for an improved prediction of the pharmacokinetic, drug-drug interaction and safety characteristics of compounds in humans. The specific advantages and disadvantages of these models should be carefully considered when using them for studies in drug discovery and development. Here, an overview on the corresponding genetically humanized and chimeric liver humanized mouse models described to date is provided and illustrated with examples of their utility in drug metabolism and toxicity studies. We compare the strength and weaknesses of the two different approaches, give guidance for the selection of the appropriate model for various applications and discuss future trends and perspectives.}, language = {en} } @article{ScheerWolf2014, author = {Scheer, Nico and Wolf, C. Roland}, title = {Genetically humanized mouse models of drug metabolizing enzymes and transporters and their applications}, series = {Xenobiotica}, volume = {44}, journal = {Xenobiotica}, number = {2}, publisher = {Taylor \& Francis}, address = {Abingdon}, issn = {1366-5928}, doi = {10.3109/00498254.2013.815831}, pages = {96 -- 108}, year = {2014}, abstract = {1. Drug metabolizing enzymes and transporters play important roles in the absorption, metabolism, tissue distribution and excretion of various compounds and their metabolites and thus can significantly affect their efficacy and safety. Furthermore, they can be involved in drug-drug interactions which can result in adverse responses, life-threatening toxicity or impaired efficacy. Significant species differences in the interaction of compounds with drug metabolizing enzymes and transporters have been described. 2. In order to overcome the limitation of animal models in accurately predicting human responses, a large variety of mouse models humanized for drug metabolizing enzymes and to a lesser extent drug transporters have been created. 3. This review summarizes the literature describing these mouse models and their key applications in studying the role of drug metabolizing enzymes and transporters in drug bioavailability, tissue distribution, clearance and drug-drug interactions as well as in human metabolite testing and risk assessment. 4. Though such humanized mouse models have certain limitations, there is great potential for their use in basic research and for testing and development of new medicines. These limitations and future potentials will be discussed.}, language = {en} } @article{ScheerWolf2013, author = {Scheer, Nico and Wolf, C. Roland}, title = {Xenobiotic receptor humanized mice and their utility}, series = {Drug Metabolism Reviews}, journal = {Drug Metabolism Reviews}, number = {1}, publisher = {Taylor \& Francis}, address = {London}, issn = {1097-9883}, doi = {10.3109/03602532.2012.738687}, pages = {110 -- 121}, year = {2013}, language = {en} } @article{HendersonScheerWolf2009, author = {Henderson, Colin J. and Scheer, Nico and Wolf, C. Roland}, title = {Advances in the generation of mouse models to elucidate the pathways of drug metabolism in rodents and man}, series = {Expert Review of Clinical Pharmacology}, volume = {2}, journal = {Expert Review of Clinical Pharmacology}, number = {2}, publisher = {Taylor \& Francis}, address = {London}, issn = {1751-2441}, doi = {10.1586/17512433.2.2.105}, pages = {105 -- 109}, year = {2009}, language = {en} } @article{StanleyHorsburghRossetal.2009, author = {Stanley, Lesley A. and Horsburgh, Brian C. and Ross, Jillian and Scheer, Nico and Wolf, C. Roland}, title = {Drug transporters: Gatekeepers controlling access of xenobiotics to the cellular interior}, series = {Drug Metabolism Reviews}, volume = {41}, journal = {Drug Metabolism Reviews}, number = {1}, publisher = {Taylor \& Francis}, address = {London}, issn = {1097-9883}, doi = {10.1080/03602530802605040}, pages = {27 -- 65}, year = {2009}, language = {en} } @article{StanleyHorsburghRossetal.2006, author = {Stanley, Lesley A. and Horsburgh, Brian C. and Ross, Jillian and Scheer, Nico and Wolf, C. Roland}, title = {Nuclear Receptors which play a pivotal role in drug disposition and chemical toxicity}, series = {Drug Metabolism Reviews}, volume = {38}, journal = {Drug Metabolism Reviews}, number = {3}, issn = {1097-9883}, doi = {10.1080/03602530600786232}, pages = {515 -- 597}, year = {2006}, language = {en} } @incollection{SamuelssonScheerWilsonetal.2017, author = {Samuelsson, K. and Scheer, Nico and Wilson, I. and Wolf, C.R. and Henderson, C.J.}, title = {Genetically Humanized Animal Models}, series = {Comprehensive Medicinal Chemistry III. 3rd Edition}, booktitle = {Comprehensive Medicinal Chemistry III. 3rd Edition}, editor = {Chackalamannil, Samuel}, publisher = {Elsevier}, address = {Saint Louis}, isbn = {978-0-12-803201-5}, doi = {10.1016/B978-0-12-409547-2.12376-5}, pages = {130 -- 149}, year = {2017}, abstract = {Genetically humanized mice for proteins involved in drug metabolism and toxicity and mice engrafted with human hepatocytes are emerging as promising in vivo models for improved prediction of the pharmacokinetic, drug-drug interaction, and safety characteristics of compounds in humans. This is an overview on the genetically humanized and chimeric liver-humanized mouse models, which are illustrated with examples of their utility in drug metabolism and toxicity studies. The models are compared to give guidance for selection of the most appropriate model by highlighting advantages and disadvantages to be carefully considered when used for studies in drug discovery and development.}, 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} } @incollection{WolfKapelyukhScheeretal.2015, author = {Wolf, C. Roland and Kapelyukh, Yury and Scheer, Nico and Henderson, Colin J.}, title = {Application of Humanised and Other Transgenic Models to Predict Human Responses to Drugs}, editor = {Wilson, Alan G. E.}, publisher = {RSC Publ.}, address = {Cambridge}, isbn = {978-1-78262-778-4}, doi = {10.1039/9781782622376-00152}, pages = {152 -- 176}, year = {2015}, abstract = {The use of transgenic animal models has transformed our knowledge of complex biochemical pathways in vivo. It has allowed disease processes to be modelled and used in the development of new disease prevention and treatment strategies. They can also be used to define cell- and tissue-specific pathways of gene regulation. A further major application is in the area of preclinical development where such models can be used to define pathways of chemical toxicity, and the pathways that regulate drug disposition. One major application of this approach is the humanisation of mice for the proteins that control drug metabolism and disposition. Such models can have numerous applications in the development of drugs and in their more sophisticated use in the clinic.}, language = {en} } @incollection{HendersonWolfScheer2009, author = {Henderson, Colin J. and Wolf, C. Roland and Scheer, Nico}, title = {The use of transgenic animals to study drug metabolism}, series = {Handbook of Drug Metabolism. 2nd Edition}, booktitle = {Handbook of Drug Metabolism. 2nd Edition}, editor = {Woolf, Thomas F.}, publisher = {Informa Healthcare}, address = {New York}, isbn = {978-1-4200-7647-9}, pages = {637 -- 658}, year = {2009}, language = {en} } @article{EngelBayerHoltmannetal.2019, author = {Engel, Mareike and Bayer, Hendrik and Holtmann, Dirk and Tippk{\"o}tter, Nils and Ulber, Roland}, title = {Flavin secretion of Clostridium acetobutylicum in a bioelectrochemical system - Is an iron limitation involved?}, series = {Bioelectrochemistry}, journal = {Bioelectrochemistry}, number = {In Press, Accepted Manuscript}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1567-5394}, doi = {10.1016/j.bioelechem.2019.05.014}, year = {2019}, language = {en} } @article{ScheerRossRodeetal.2008, author = {Scheer, Nico and Ross, Jillian and Rode, Anja and Zevnik, Branko and Niehaves, Sandra and Faust, Nicole and Wolf, C. Roland}, title = {A novel panel of mouse models to evaluate the role of human pregnane X receptor and constitutive androstane receptor in drug response}, series = {Journal of Clinical Investigation}, volume = {118}, journal = {Journal of Clinical Investigation}, number = {9}, issn = {1558-8238}, doi = {https://doi.org/10.1172/JCI35483}, pages = {3228 -- 3239}, year = {2008}, 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{ReugelsBoggettiScheeretal.2006, author = {Reugels, Alexander M. and Boggetti, Barbara and Scheer, Nico and Campos-Ortega, Jos{\´e} A.}, title = {Asymmetric localization of Numb:EGFP in dividing neuroepithelial cells during neurulation in Danio rerio}, series = {Developmental Dynamics}, volume = {235}, journal = {Developmental Dynamics}, number = {4}, issn = {1097-0177}, doi = {10.1002/dvdy.20699}, pages = {934 -- 948}, year = {2006}, language = {en} } @article{HansScheerRiedletal.2004, author = {Hans, Stefan and Scheer, Nico and Riedl, Iris and Weiz{\"a}cker, Elisabeth von and Blader, Patrick and Campos-Ortega, Jos{\´e} A.}, title = {her3, a zebrafish member of the hairy-E(spl) family, is repressed by Notch signalling}, series = {Development}, volume = {131}, journal = {Development}, number = {12}, issn = {1477-9129}, doi = {10.1242/dev.01167}, pages = {2957 -- 2969}, year = {2004}, language = {en} } @article{ScheerRiedlWarrenetal.2002, author = {Scheer, Nico and Riedl, Iris and Warren, J.T. and Kuwada, John Y. and Campos-Ortega, Jos{\´e} A.}, title = {A quantitative analysis of the kinetics of Gal4 activator and effector gene expression in the zebrafish}, series = {Mechanism of Development}, volume = {112}, journal = {Mechanism of Development}, number = {1-2}, issn = {0925-4773}, doi = {10.1016/S0925-4773(01)00621-9}, pages = {9 -- 14}, year = {2002}, language = {en} } @article{LawsonScheerPhametal.2001, author = {Lawson, Nathan D. and Scheer, Nico and Pham, Van N. and Kim, Ceol-Hee and Chitnis, Ajay B. and Campos-Ortega, Jos{\´e} A. and Weinstein, Brant M.}, title = {Notch signaling is required for arterial-venous differentiation during embryonic vascular development}, series = {Development}, volume = {128}, journal = {Development}, number = {19}, issn = {1477-9129}, pages = {3675 -- 3683}, year = {2001}, language = {en} } @article{ScheerGrothHansetal.2001, author = {Scheer, Nico and Groth, Anne and Hans, Stefan and Campos-Ortega, Jos{\´e} A.}, title = {An instructive function for Notch in promoting gliogenesis in the zebrafish retina}, series = {Development}, volume = {128}, journal = {Development}, number = {7}, issn = {0950-1991}, pages = {1099 -- 1107}, year = {2001}, language = {en} } @article{HalbachScheer2000, author = {Halbach, Thorsten and Scheer, Nico}, title = {Transcriptional activation by the PHD finger is inhibited through an adjacent leucine zipper that binds 14-3-3 proteins}, series = {Nucleic Acids Research}, volume = {28}, journal = {Nucleic Acids Research}, number = {18}, issn = {1362-4962}, doi = {10.1093/nar/28.18.3542}, pages = {3542 -- 3550}, year = {2000}, language = {en} } @article{ScheerCamposOrtega1999, author = {Scheer, Nico and Campos-Ortega, Jos{\´e} A.}, title = {Use of the Gal4-UAS technique for targeted gene expression in the zebrafish}, series = {Mechanism of Development}, volume = {80}, journal = {Mechanism of Development}, number = {2}, issn = {0925-4773}, doi = {10.1016/S0925-4773(98)00209-3}, pages = {153 -- 158}, year = {1999}, language = {en} } @misc{FriedericiHojdis2018, author = {Friederici, Nadja-Annette and Hojdis, Nils}, title = {Fahrzeugreifen}, year = {2018}, abstract = {Die Erfindung betrifft einen Fahrzeugreifen mit zumindest einem radial außen befindlichen Gummilaufstreifen, Wulstbereichen f{\"u}r den Anschluss an eine Felge und mit auf einer Gummimischung basierenden Seitenwandbereichen zwischen Gummilaufstreifen und den Wulstbereichen. Ferner betrifft die Erfindung Verfahren zur Herstellung solcher Fahrzeugreifen. Um den Anteil der umweltsch{\"a}dlichen Substanzen, insbesondere im Innenstadtbereich, zu reduzieren weisen die Seitenwandbereiche auf der {\"a}ußeren Oberfl{\"a}che eine f{\"u}r den oxidativen Abbau von Molek{\"u}len photokatalytisch aktive Substanz auf.}, language = {de} } @misc{HojdisMulthauptReckeretal.2019, author = {Hojdis, Nils and Multhaupt, Hendrik and Recker, Carla and Wark, Michael}, title = {Schwefelvernetzbare Kautschukmischung, Vulkanisat der Kautschukmischung und Fahrzeugreifen}, year = {2019}, abstract = {Die Erfindung betrifft eine schwefelvernetzbare Kautschukmischung, deren Vulkanisat und einen Fahrzeugreifen. Die erfindungsgem{\"a}ße Kautschukmischung enth{\"a}lt wenigstens folgende Bestandteile: - Wenigstens einen Dienkautschuk; - wenigstens eine Kohle (HTC-Kohle), die mittels hydrothermaler Karbonisierung von wenigstens einer Ausgangssubstanz hergestellt ist. Der erfindungsgem{\"a}ße Fahrzeugreifen weist in wenigstens einem Bauteil wenigstens ein erfindungsgem{\"a}ßes Vulkanisat der Kautschukmischung auf.}, language = {de} } @misc{DauerHojdisMuelleretal.2019, author = {Dauer, David-Raphael and Hojdis, Nils and M{\"u}ller, Norbert and Recker, Carla and Schax, Fabian and Sch{\"o}ffel, Julia and Tarantola, Gesa and Weber, Christine}, title = {Schwefelvernetzbare Kautschukmischung, Vulkanisat der Kautschukmischung und Fahrzeugreifen}, year = {2019}, abstract = {Die Erfindung betrifft eine schwefelvernetzbare Kautschukmischung, deren Vulkanisat und einen Fahrzeugreifen. Die schwefelvernetzbare Kautschukmischung enth{\"a}lt wenigstens die folgenden Bestandteile: - wenigstens einen Dienkautschuk; und - 10 bis 300 phr wenigstens einer Kiesels{\"a}ure; und - 1 bis 30 phf wenigstens eines Silans A mit der allgemeinen Summenformel A-I) A-I)(R1)oSi-R2-(S-R3)q-S-X; und - 0,5 bis 30 phf wenigstens eines Silans B mit der allgemeinen Summenformel B-I) B-I) (R1)oSi-R2-(S-R3)u-S-R2-Si(R1)o wobei q =1, 2 oder 3 ist; und u = 1, 2 oder 3 ist; und X ein Wasserstoffatom oder eine -C(=O)-R8 Gruppe ist wobei R8 ausgew{\"a}hlt ist aus Wasserstoff, C1-C20 Alkylgruppen, vorzugsweise C1-C17, C6-C20- Arylgruppen, vorzugsweise Phenyl, C2-C20-Alkenylgruppen und C7-C20-Aralkylgruppen.}, language = {de} } @article{MoretAlkemadeUpcraftetal.2020, author = {Moret, J.L.T.M. and Alkemade, J. and Upcraft, T.M. and Paulßen, Elisabeth and Wolterbeek, H.T. and Ommen, J.R. van and Denkova, A.G.}, title = {The application of atomic layer deposition in the production of sorbents for ⁹⁹Mo/⁹⁹ᵐTc generator}, series = {Applied Radiation and Isotopes}, volume = {164}, journal = {Applied Radiation and Isotopes}, number = {109266}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0969-8043}, doi = {10.1016/j.apradiso.2020.109266}, pages = {9}, year = {2020}, abstract = {New production routes for ⁹⁹Mo are steadily gaining importance. However, the obtained specific activity is much lower than currently produced by the fission of U-235. To be able to supply hospitals with ⁹⁹Mo/⁹⁹ᵐTc generators with the desired activity, the adsorption capacity of the column material should be increased. In this paper we have investigated whether the gas phase coating technique Atomic Layer Deposition (ALD), which can deposit ultra-thin layers on high surface area materials, can be used to attain materials with high adsorption capacity for ⁹⁹Mo. For this purpose, ALD was applied on a silica-core sorbent material to coat it with a thin layer of alumina. This sorbent material shows to have a maximum adsorption capacity of 120 mg/g and has a ⁹⁹ᵐTc elution efficiency of 55 ± 2\% based on 3 executive elutions.}, language = {en} } @article{SchiedermeierRettnerHeilmannetal.2019, author = {Schiedermeier, Maximilian and Rettner, Cornelius and Heilmann, Marcel and Schneider, Felix and Marz, Martin}, title = {Interference of automotive HV-DC-systems by traction voltage-source-inverters (VSI)}, series = {2019 IEEE Transportation Electrification Conference (ITEC-India)}, journal = {2019 IEEE Transportation Electrification Conference (ITEC-India)}, publisher = {IEEE}, address = {New York}, doi = {10.1109/ITEC-India48457.2019.ITECINDIA2019-37}, pages = {1 -- 6}, year = {2019}, language = {en} } @article{ElMoussaouiTalbiAtmaneetal.2020, author = {El Moussaoui, Noureddine and Talbi, Sofian and Atmane, Ilyas and Kassmi, Khalil and Schwarzer, Klemens and Chayeb, Hamid and Bachiri, Najib}, title = {Feasibility of a new design of a Parabolic Trough Solar Thermal Cooker (PSTC)}, series = {Solar Energy}, volume = {201}, journal = {Solar Energy}, number = {Vol. 201 (May 2020)}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0038-092X}, doi = {10.1016/j.solener.2020.03.079}, pages = {866 -- 871}, year = {2020}, abstract = {In this article, we describe the structure, the functioning, and the tests of parabolic trough solar thermal cooker (PSTC). This oven is designed to meet the needs of rural residents, including Urban, which requires stable cooking temperatures above 200 °C. The cooking by this cooker is based on the concentration of the sun's rays on a glass vacuum tube and heating of the oil circulate in a big tube, located inside the glass tube. Through two small tubes, associated with large tube, the heated oil, rise and heats the pot of cooking pot containing the food to be cooked (capacity of 5 kg). This cooker is designed in Germany and extensively tested in Morocco for use by the inhabitants who use wood from forests. During a sunny day, having a maximum solar radiation around 720 W/m2 and temperature ambient around 26 °C, maximum temperatures recorded of the small tube, the large tube and the center of the pot are respectively: 370 °C, 270 °C and 260 °C. The cooking process with food at high (fries, ..), we show that the cooking oil temperature rises to 200 °C, after 1 h of heating, the cooking is done at a temperature of 120 °C for 20 min. These temperatures are practically stable following variations and decreases in the intensity of irradiance during the day. The comparison of these results with those of the literature shows an improvement of 30-50 \% on the maximum value of the temperature with a heat storage that could reach 60 min of autonomy. All the results obtained show the good functioning of the PSTC and the feasibility of cooking food at high temperature (>200 °C).}, language = {en} } @article{MuschallikKippReckeretal.2020, author = {Muschallik, Lukas and Kipp, Carina Ronja and Recker, Inga and Bongaerts, Johannes and Pohl, Martina and Gelissen, Melanie and Sch{\"o}ning, Michael Josef and Selmer, Thorsten and Siegert, Petra}, title = {Synthesis of α-hydroxy ketones and vicinal diols with the Bacillus licheniformis DSM 13T butane-2, 3-diol dehydrogenase}, series = {Journal of Biotechnology}, volume = {202}, journal = {Journal of Biotechnology}, number = {Vol. 324}, publisher = {Elsevier}, address = {Amsterdam}, isbn = {2590-1559}, doi = {10.1016/j.jbiotec.2020.09.016}, pages = {61 -- 70}, year = {2020}, abstract = {The enantioselective synthesis of α-hydroxy ketones and vicinal diols is an intriguing field because of the broad applicability of these molecules. Although, butandiol dehydrogenases are known to play a key role in the production of 2,3-butandiol, their potential as biocatalysts is still not well studied. Here, we investigate the biocatalytic properties of the meso-butanediol dehydrogenase from Bacillus licheniformis DSM 13T (BlBDH). The encoding gene was cloned with an N-terminal StrepII-tag and recombinantly overexpressed in E. coli. BlBDH is highly active towards several non-physiological diketones and α-hydroxyketones with varying aliphatic chain lengths or even containing phenyl moieties. By adjusting the reaction parameters in biotransformations the formation of either the α-hydroxyketone intermediate or the diol can be controlled.}, language = {en} } @article{MayerHentschkeHageretal.2017, author = {Mayer, Jan and Hentschke, Reinhard and Hager, Jonathan and Hojdis, Nils and Karimi-Varnaneh, Hossein Ali}, title = {A Nano-Mechanical Instability as Primary Contribution to Rolling Resistance}, series = {Scientific Reports}, volume = {7}, journal = {Scientific Reports}, number = {Article number 11275}, publisher = {Springer}, address = {Berlin}, issn = {2045-2322}, year = {2017}, language = {en} } @article{SvaneborgKarimiVarzanehHojdisetal.2016, author = {Svaneborg, Carsten and Karimi-Varzaneh, Hossein Ali and Hojdis, Nils and Fleck, Franz and Everaers, Ralf}, title = {Multiscale approach to equilibrating model polymer melts}, series = {Physical Review E}, volume = {94}, journal = {Physical Review E}, number = {032502}, publisher = {AIP Publishing}, address = {Melville, NY}, issn = {2470-0053}, doi = {10.1103/PhysRevE.94.032502}, year = {2016}, abstract = {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.}, language = {en} } @article{SchwabHojdisLacayoetal.2016, author = {Schwab, Lukas and Hojdis, Nils and Lacayo, Jorge and Wilhelm, Manfred}, title = {Fourier-Transform Rheology of Unvulcanized, Carbon Black Filled Styrene Butadiene Rubber}, series = {Macromolecular Materials and Engineering}, volume = {301}, journal = {Macromolecular Materials and Engineering}, number = {4}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1439-2054}, doi = {10.1002/mame.201500356}, pages = {457 -- 468}, year = {2016}, abstract = {Rubber materials filled with reinforcing fillers display nonlinear rheological behavior at small strain amplitudes below γ0 < 0.1. Nevertheless, rheological data are analyzed mostly in terms of linear parameters, such as shear moduli (G′, G″), which loose their physical meaning in the nonlinear regime. In this work styrene butadiene rubber filled with carbon black (CB) under large amplitude oscillatory shear (LAOS) is analyzed in terms of the nonlinear parameter I3/1. Three different CB grades are used and the filler load is varied between 0 and 70 phr. It is found that I3/1(φ) is most sensitive to changes of the total accessible filler surface area at low strain amplitudes (γ0 = 0.32). The addition of up to 70 phr CB leads to an increase of I3/1(φ) by a factor of more than ten. The influence of the measurement temperature on I3/1 is pronounced for CB levels above the percolation threshold.}, 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{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} } @misc{FingerHojdisMenglong2020, author = {Finger, Sebastian and Hojdis, Nils and Menglong, Huang}, title = {Sekund{\"a}re galvanische Zelle}, year = {2020}, abstract = {Die vorliegende Erfindung betrifft eine sekund{\"a}re galvanische Zelle, umfassend eine Kathode, eine Anode und einen Separator, der zwischen der Kathode und der Anode angeordnet ist, wobei die Kathode ein erstes elastomeres Polymer umfasst, welches mit einem ersten F{\"u}llstoff als Kathodenmaterial gef{\"u}llt ist, wobei die Anode ein zweites elastomeres Polymer umfasst, welches mit einem zweiten F{\"u}llstoff als Anodenmaterial gef{\"u}llt ist, wobei der Separator ein drittes elastomeres Polymer umfasst, wobei das erste elastomere Polymer, das zweite elastomere Polymer und das dritte elastomere Polymer unabh{\"a}ngig voneinander aus vernetzungsf{\"a}higen Dienkautschuken ausgew{\"a}hlt sind, und wobei zumindest eines von dem ersten elastomeren Polymer, dem zweiten elastomeren Polymer und dem dritten elastomeren Polymer eine ionische Fl{\"u}ssigkeit und/oder ein elektrisch leitf{\"a}higes Polymer enth{\"a}lt. Die vorliegende Erfindung betrifft ferner eine wiederaufladbare Batterie, umfassend die erfindungsgem{\"a}ße sekund{\"a}re galvanische Zelle, ein Verfahren zur Herstellung einer sekund{\"a}ren galvanischen Zelle sowie die Verwendung der erfindungsgem{\"a}ßen sekund{\"a}ren galvanischen Zelle sowie der erfindungsgem{\"a}ßen wiederaufladbaren Batterie.}, language = {de} } @misc{HojdisRecker2020, author = {Hojdis, Nils and Recker, Carla}, title = {Schwefelvernetzte Kautschukmischung f{\"u}r Fahrzeugreifen enthaltend Carbon Nanotubes (cnt), Fahrzeugreifen, Der Die schwefelvernetzte Kautschukmischung aufweist, sowie Verfahren zur Herstellung der schwefelvernetzten Kautschukmischung enthaltend Cnt}, year = {2020}, language = {de} } @misc{EhmkeFingerHojdisetal.2020, author = {Ehmke, Tobias and Finger, Sebastian and Hojdis, Nils and Kurz, Martin and Nawrocka-Herczynska, Monika}, title = {Funkeinheit und Vorrichtung mit einer Funkeinheit}, year = {2020}, abstract = {Dargestellt und beansprucht ist eine Funkeinheit mit einem Funkbauteil, einer elektrisch leitf{\"a}higen Antenne und einem Kunststoffverbindungsmittel. Das Funkbauteil weist einen Antennenanschluss auf. Das Kunststoffverbindungsmittel weist ein erstes Elastomermaterial mit elektrisch leitf{\"a}higem Zusatzmaterial auf, so dass das Kunststoffverbindungsmittel elektrisch leitf{\"a}hig ist. Das Kunststoffverbindungsmittel bildet eine mechanische und elektrisch leitf{\"a}hige Verbindung zwischen dem Antennenanschluss und der Antenne. Weiterhin wird eine Vorrichtung mit einem ein Matrixmaterial mit oder aus einem zweiten Elastomermaterial und einer Funkeinheit beschrieben und beansprucht, wobei die Funkeinheit vollst{\"a}ndig in das Matrixmaterial eingebettet ist. Die Vorrichtung kann insbesondere ein Fahrzeugreifen sein.}, language = {de} } @misc{Hojdis2019, author = {Hojdis, Nils}, title = {Verfahren zum Bestimmen einer Sitzeinstellung eines Sitzes eines Kraftfahrzeugs, Computerprogrammprodukt, Servereinrichtung, Kommunikationsendger{\"a}t und Kraftfahrzeug}, year = {2019}, abstract = {Die Erfindung betrifft ein Verfahren zum Bestimmen einer Sitzeinstellung (23) eines Sitzes (3) eines Kraftfahrzeugs (1), bei welchem folgende Schritte durchgef{\"u}hrt werden:- Bereitstellen einer K{\"o}rperabmessung (12) eines Nutzers (6) des Kraftfahrzeugs (1);- Bereitstellen einer Sitzeigenschaft (13) des Sitzes (3) des Kraftfahrzeugs (1);- Bereitstellen eines mit zumindest einer Referenzsitzeigenschaft (20), zumindest einer Referenzk{\"o}rperabmessung (21) und zumindest einer Referenzsitzeinstellung (22) trainiertes k{\"u}nstliches neuronales Netz (14); und- Bestimmen der Sitzeinstellung (23) durch Eingabe der K{\"o}rperabmessung (12) und der Sitzeigenschaft (13) in das k{\"u}nstliche neuronale Netz (14).}, language = {de} } @misc{DauerHojdisMuelleretal.2019, author = {Dauer, David-Raphael and Hojdis, Nils and M{\"u}ller, Norbert and Recker, Carla and Schax, Fabian and Sch{\"o}ffel, Julia and Tarantola, Gesa and Weber, Christine}, title = {Schwefelvernetzbare Kautschukmischung, Vulkanisat der Kautschukmischung und Fahrzeugreifen}, year = {2019}, abstract = {Die Erfindung betrifft eine schwefelvernetzbare Kautschukmischung, deren Vulkanisat und einen Fahrzeugreifen.Die schwefelvernetzbare Kautschukmischung enth{\"a}lt wenigstens die folgenden Bestandteile:- wenigstens einen Dienkautschuk; und- 10 bis 300 phr wenigstens einer Kiesels{\"a}ure ; und- 1 bis 30 phf wenigstens eines Silans A mit der allgemeinen Summenformel A-I)und- 0,5 bis 30 phf wenigstens eines Silans B mit der allgemeinen Summenformel B-I)wobei u gleich 0, 1, 2 oder 3 und v gleich 0 oder 1 ist.}, language = {de} } @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{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} }