TY  - JOUR
A1  - Raupp, Sebastian M.
A1  - Schmitt, Marcel
A1  - Walz, Anna-Lena
A1  - Diehm, Ralf
A1  - Hummel, Helga
A1  - Scharfer, Philip
A1  - Schabel, Wilhelm
T1  - Slot die stripe coating of low viscous fluids
JF  - Journal of Coatings Technology and Research
N2  - 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.
Y1  - 2018
U6  - http://dx.doi.org/10.1007/s11998-017-0039-y
SN  - 1935-3804
VL  - 15
IS  - 5
SP  - 899
EP  - 911
PB  - Springer
ER  - 
TY  - JOUR
A1  - Scheer, Nico
A1  - Mclaughlin, Lesley A.
A1  - Rode, Anja
A1  - MacLeod, Alastair Kenneth
A1  - Henderson, Colin J.
A1  - Wolf, Roland C.
T1  - Deletion of thirty murine cytochrome P450 genes results in viable mice with compromised drug metabolism
JF  - Drug Metabolism and Disposition
N2  - 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.
Y1  - 2014
U6  - http://dx.doi.org/10.1124/dmd.114.057885
SN  - 1521-009X
VL  - 42
IS  - 6
SP  - 1022
EP  - 1030
PB  - ASPET
CY  - Bethesda, Md.
ER  - 
TY  - JOUR
A1  - Scheer, Nico
A1  - Balimane, Praveen
A1  - Hayward, Michael D.
A1  - Buechel, Sandra
A1  - Kauselmann, Gunther
A1  - Wolf, C. Roland
T1  - Generation and Characterization of a Novel Multidrug Resistance Protein 2 Humanized Mouse Line
JF  - Drug Metabolism and Disposition
N2  - 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.
Y1  - 2012
U6  - http://dx.doi.org/10.1124/dmd.112.047605
SN  - 1521-0111
VL  - 40
IS  - 11
SP  - 2212
EP  - 2218
PB  - ASPET
CY  - Bethesda, Md.
ER  - 
TY  - JOUR
A1  - Scheer, Nico
A1  - Kapelyukh, Yury
A1  - Rode, Anja
A1  - Buechel, Sandra
A1  - Wolf, C. Roland
T1  - Generation and characterization of novel cytochrome P450 Cyp2c gene cluster knockout and CYP2C9 humanized mouse lines
JF  - Molecular Pharmacology
N2  - 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.
Y1  - 2012
U6  - http://dx.doi.org/10.1124/mol.112.080036
SN  - 1521-0111
VL  - 82
IS  - 6
SP  - 1022
EP  - 1029
PB  - ASPET
CY  - Bethesda, Md.
ER  - 
TY  - JOUR
A1  - Lempiäinen, Harri
A1  - Couttet, Philippe
A1  - Bolognani, Federico
A1  - Müller, Arne
A1  - Dubost, Valérie
A1  - Luisier, Raphaëlle
A1  - Rio-Espinola, Alberto del
A1  - Vitry, Veronique
A1  - Unterberger, Elif B.
A1  - Thomson, John P.
A1  - Treindl, Fridolin
A1  - Metzger, Ute
A1  - Wrzodek, Clemens
A1  - Hahne, Florian
A1  - Zollinger, Tulipan
A1  - Brasa, Sarah
A1  - Kalteis, Magdalena
A1  - Marcellin, Magali
A1  - Giudicelli, Fanny
A1  - Braeuning, Albert
A1  - Morawiec, Laurent
A1  - Zamurovic, Natasa
A1  - Längle, Ulrich
A1  - Scheer, Nico
A1  - Schübeler, Dirk
A1  - Goodman, Jay
A1  - Chibout, Salah-Dine
A1  - Marlowe, Jennifer
A1  - Theil, Dietlinde
A1  - Heard, David J.
A1  - Grenet, Olivier
A1  - Zell, Andreas
A1  - Templin, Markus F.
A1  - Meehan, Richard R.
A1  - Wolf, Roland C.
A1  - Elcombe, Clifford R.
A1  - Schwarz, Michael
A1  - Moulin, Pierre
A1  - Terranova, Rémi
A1  - Moggs, Jonathan G.
T1  - Identification of Dlk1-Dio3 imprinted gene cluster non-coding RNAs as novel candidate biomarkers for liver tumor promotion
JF  - Toxicological Sciences
N2  - 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.
Y1  - 2012
U6  - http://dx.doi.org/10.1093/toxsci/kfs303
SN  - 1094-2025
VL  - 131
IS  - 2
SP  - 375
EP  - 386
PB  - Oxford University Press
CY  - Oxford
ER  - 
TY  - JOUR
A1  - Kapelyukh, Yury
A1  - Henderson, Colin James
A1  - Scheer, Nico
A1  - Rode, Anja
A1  - Wolf, Charles Roland
T1  - Defining the contribution of CYP1A1 and CYP1A2 to drug metabolism using humanized CYP1A1/1A2 and Cyp1a1/Cyp1a2 KO mice
JF  - Drug Metabolism and Disposition
Y1  - 2019
U6  - http://dx.doi.org/10.1124/dmd.119.087718
IS  - Early view
ER  - 
TY  - CHAP
A1  - Hoffmann, Katharina
A1  - Nieren, Monika
A1  - Gäb, Martina
A1  - Kasper, Anna
A1  - Elbers, Gereon
T1  - The potential of near infrared spectroscopy (NIRS) for the environmental biomonitoring of plants
T2  - International conference on Life Sciences and Technology
N2  - 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.
Y1  - 2019
U6  - http://dx.doi.org/10.1088/1755-1315/276/1/012009
SN  - 1755-1315
N1  - IOP Conference Series: Earth and Environmental Science : 276
VL  - 276
IS  - 012009
SP  - 1
EP  - 3
ER  - 
TY  - JOUR
A1  - Schiffels, Johannes
A1  - Selmer, Thorsten
T1  - Combinatorial assembly of ferredoxin‐linked modules in Escherichia coli yields a testing platform for Rnf‐complexes
JF  - Biotechnology and Bioengineering
Y1  - 2019
U6  - http://dx.doi.org/10.1002/bit.27079
IS  - accepted article
SP  - 1
EP  - 36
PB  - Wiley
CY  - Weinheim
ER  - 
TY  - JOUR
A1  - Scheer, Nico
A1  - Henderson, Colin James
A1  - Kapelyukh, Yury
A1  - Rode, Anja
A1  - Mclaren, Aileen W.
A1  - MacLeod, Alastair Kenneth
A1  - Lin, De
A1  - Wright, Jayne
A1  - Stanley, Lesley
A1  - Wolf, C. Roland
T1  - An extensively humanised mouse model to predict pathways of drug disposition, drug/drug interactions, and to facilitate the design of clinical trials
JF  - Drug Metabolism and Disposition
Y1  - 2019
U6  - http://dx.doi.org/10.1124/dmd.119.086397
IS  - Early view
ER  - 
TY  - JOUR
A1  - Delaittre, Guillaume
T1  - Telechelic Poly(2-Oxazoline)s
JF  - European Polymer Journal
Y1  - 2019
U6  - http://dx.doi.org/10.1016/j.eurpolymj.2019.109281
SN  - 0014-3057
IS  - In Press, Journal Pre-proof, 109281
PB  - Elsevier
CY  - Amsterdam
ER  - 
TY  - JOUR
A1  - Engel, Mareike
A1  - Gemünde, Andre
A1  - Holtmann, Dirk
A1  - Müller-Renno, Christine
A1  - Ziegler, Christiane
A1  - Tippkötter, Nils
A1  - Ulber, Roland
T1  - Clostridium acetobutylicum’s connecting world: cell appendage formation in bioelectrochemical systems
JF  - ChemElectroChem
Y1  - 2019
U6  - http://dx.doi.org/10.1002/celc.201901656
SN  - 2196-0216
IS  - Accepted Article
PB  - Wiley
CY  - Weinheim
ER  - 
TY  - JOUR
A1  - Scheer, Nico
A1  - Wilson, Ian D.
T1  - A comparison between genetically humanized and chimeric liver humanized mouse models for studies in drug metabolism and toxicity
JF  - Drug Discovery Today
N2  - 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.
Y1  - 2016
U6  - http://dx.doi.org/10.1016/j.drudis.2015.09.002
SN  - 1359-6446
VL  - 21
IS  - 2
SP  - 250
EP  - 263
PB  - Elsevier
CY  - Amsterdam
ER  - 
TY  - JOUR
A1  - Scheer, Nico
A1  - Wolf, C. Roland
T1  - Genetically humanized mouse models of drug metabolizing enzymes and transporters and their applications
JF  - Xenobiotica
N2  - 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.
KW  - transporters
KW  - human metabolites
KW  - drug metabolising enzymes
KW  - drug–drug interactions
KW  - bioavailability
Y1  - 2014
U6  - http://dx.doi.org/10.3109/00498254.2013.815831
SN  - 1366-5928
VL  - 44
IS  - 2
SP  - 96
EP  - 108
PB  - Taylor & Francis
CY  - Abingdon
ER  - 
TY  - JOUR
A1  - Scheer, Nico
A1  - Wolf, C. Roland
T1  - Xenobiotic receptor humanized mice and their utility
JF  - Drug Metabolism Reviews
Y1  - 2013
U6  - http://dx.doi.org/10.3109/03602532.2012.738687
SN  - 1097-9883
IS  - 1
SP  - 110
EP  - 121
PB  - Taylor & Francis
CY  - London
ER  - 
TY  - JOUR
A1  - Henderson, Colin J.
A1  - Scheer, Nico
A1  - Wolf, C. Roland
T1  - Advances in the generation of mouse models to elucidate the pathways of drug metabolism in rodents and man
JF  - Expert Review of Clinical Pharmacology
Y1  - 2009
U6  - http://dx.doi.org/10.1586/17512433.2.2.105
SN  - 1751-2441
VL  - 2
IS  - 2
SP  - 105
EP  - 109
PB  - Taylor & Francis
CY  - London
ER  - 
TY  - JOUR
A1  - Stanley, Lesley A.
A1  - Horsburgh, Brian C.
A1  - Ross, Jillian
A1  - Scheer, Nico
A1  - Wolf, C. Roland
T1  - Drug transporters: Gatekeepers controlling access of xenobiotics to the cellular interior
JF  - Drug Metabolism Reviews
Y1  - 2009
U6  - http://dx.doi.org/10.1080/03602530802605040
SN  - 1097-9883
VL  - 41
IS  - 1
SP  - 27
EP  - 65
PB  - Taylor & Francis
CY  - London
ER  - 
TY  - JOUR
A1  - Stanley, Lesley A.
A1  - Horsburgh, Brian C.
A1  - Ross, Jillian
A1  - Scheer, Nico
A1  - Wolf, C. Roland
T1  - Nuclear Receptors which play a pivotal role in drug disposition and chemical toxicity
JF  - Drug Metabolism Reviews
Y1  - 2006
U6  - http://dx.doi.org/10.1080/03602530600786232
SN  - 1097-9883
VL  - 38
IS  - 3
SP  - 515
EP  - 597
ER  - 
TY  - CHAP
A1  - Samuelsson, K.
A1  - Scheer, Nico
A1  - Wilson, I.
A1  - Wolf, C.R.
A1  - Henderson, C.J.
ED  - Chackalamannil, Samuel
T1  - Genetically Humanized Animal Models
T2  - Comprehensive Medicinal Chemistry III. 3rd Edition
N2  - 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.
KW  - Chimeric liver-humanized mice
KW  - Drug distribution
KW  - Drug metabolism
KW  - Toxicology
KW  - Knockout mice
Y1  - 2017
SN  - 978-0-12-803201-5
U6  - http://dx.doi.org/10.1016/B978-0-12-409547-2.12376-5
SP  - 130
EP  - 149
PB  - Elsevier
CY  - Saint Louis
ER  - 
TY  - CHAP
A1  - Scheer, Nico
A1  - Chu, Xiaoyan
A1  - Salphati, Laurent
A1  - Zamek-Gliszczynski, Maciej J.
ED  - Nicholls, Glynis
T1  - Knockout and humanized animal models to study membrane transporters in drug development
T2  - Drug Transporters: Volume 1: Role and Importance in ADME and Drug Development
Y1  - 2016
SN  - 978-1-78262-379-3
U6  - http://dx.doi.org/10.1039/9781782623793-00298
SP  - 298
EP  - 332
PB  - Royal Society of Chemistry
CY  - Cambridge
ER  - 
TY  - CHAP
A1  - Wolf, C. Roland
A1  - Kapelyukh, Yury
A1  - Scheer, Nico
A1  - Henderson, Colin J.
ED  - Wilson, Alan G. E.
T1  - Application of Humanised and Other Transgenic Models to Predict Human Responses to Drugs
N2  - 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.
Y1  - 2015
SN  - 978-1-78262-778-4
U6  - http://dx.doi.org/10.1039/9781782622376-00152
SP  - 152
EP  - 176
PB  - RSC Publ.
CY  - Cambridge
ER  - 
TY  - CHAP
A1  - Henderson, Colin J.
A1  - Wolf, C. Roland
A1  - Scheer, Nico
ED  - Woolf, Thomas F.
T1  - The use of transgenic animals to study drug metabolism
T2  - Handbook of Drug Metabolism. 2nd Edition
Y1  - 2009
SN  - 978-1-4200-7647-9
SP  - 637
EP  - 658
PB  - Informa Healthcare
CY  - New York
ER  - 
TY  - JOUR
A1  - Engel, Mareike
A1  - Bayer, Hendrik
A1  - Holtmann, Dirk
A1  - Tippkötter, Nils
A1  - Ulber, Roland
T1  - Flavin secretion of Clostridium acetobutylicum in a bioelectrochemical system - Is an iron limitation involved?
JF  - Bioelectrochemistry
Y1  - 2019
U6  - http://dx.doi.org/10.1016/j.bioelechem.2019.05.014
SN  - 1567-5394
IS  - In Press, Accepted Manuscript
PB  - Elsevier
CY  - Amsterdam
ER  - 
TY  - JOUR
A1  - Scheer, Nico
A1  - Ross, Jillian
A1  - Rode, Anja
A1  - Zevnik, Branko
A1  - Niehaves, Sandra
A1  - Faust, Nicole
A1  - Wolf, C. Roland
T1  - A novel panel of mouse models to evaluate the role of human pregnane X receptor and constitutive androstane receptor in drug response
JF  - Journal of Clinical Investigation
Y1  - 2008
U6  - http://dx.doi.org/https://doi.org/10.1172/JCI35483
SN  - 1558-8238
VL  - 118
IS  - 9
SP  - 3228
EP  - 3239
ER  - 
TY  - JOUR
A1  - Scheer, Nico
A1  - Kapelyukh, Yury
A1  - McEwan, Jillian
A1  - Beuger, Vincent
A1  - Stanley, Lesley A.
A1  - Rode, Anja
A1  - Wolf, C. Roland
T1  - Modeling Human Cytochrome P450 2D6 Metabolism and Drug-drug Interaction by a Novel Panel of Knockout and Humanized Mouse Lines
JF  - Molecular Pharmacology
N2  - 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.
Y1  - 2012
U6  - http://dx.doi.org/10.1124/mol.111.075192
SN  - 1521-0111
VL  - 81
IS  - 1
SP  - 63
EP  - 72
PB  - ASPET
CY  - Bethesda, Md.
ER  - 
TY  - JOUR
A1  - Reugels, Alexander M.
A1  - Boggetti, Barbara
A1  - Scheer, Nico
A1  - Campos-Ortega, José A.
T1  - Asymmetric localization of Numb:EGFP in dividing neuroepithelial cells during neurulation in Danio rerio
JF  - Developmental Dynamics
Y1  - 2006
U6  - http://dx.doi.org/10.1002/dvdy.20699
SN  - 1097-0177
VL  - 235
IS  - 4
SP  - 934
EP  - 948
ER  - 
TY  - JOUR
A1  - Hans, Stefan
A1  - Scheer, Nico
A1  - Riedl, Iris
A1  - Weizäcker, Elisabeth von
A1  - Blader, Patrick
A1  - Campos-Ortega, José A.
T1  - her3, a zebrafish member of the hairy-E(spl) family, is repressed by Notch signalling
JF  - Development
Y1  - 2004
U6  - http://dx.doi.org/10.1242/dev.01167
SN  - 1477-9129
VL  - 131
IS  - 12
SP  - 2957
EP  - 2969
ER  - 
TY  - JOUR
A1  - Scheer, Nico
A1  - Riedl, Iris
A1  - Warren, J.T.
A1  - Kuwada, John Y.
A1  - Campos-Ortega, José A.
T1  - A quantitative analysis of the kinetics of Gal4 activator and effector gene expression in the zebrafish
JF  - Mechanism of Development
Y1  - 2002
U6  - http://dx.doi.org/10.1016/S0925-4773(01)00621-9
SN  - 0925-4773
VL  - 112
IS  - 1-2
SP  - 9
EP  - 14
ER  - 
TY  - JOUR
A1  - Lawson, Nathan D.
A1  - Scheer, Nico
A1  - Pham, Van N.
A1  - Kim, Ceol-Hee
A1  - Chitnis, Ajay B.
A1  - Campos-Ortega, José A.
A1  - Weinstein, Brant M.
T1  - Notch signaling is required for arterial-venous differentiation during embryonic vascular development
JF  - Development
Y1  - 2001
SN  - 1477-9129
VL  - 128
IS  - 19
SP  - 3675
EP  - 3683
ER  - 
TY  - JOUR
A1  - Scheer, Nico
A1  - Groth, Anne
A1  - Hans, Stefan
A1  - Campos-Ortega, José A.
T1  - An instructive function for Notch in promoting gliogenesis in the zebrafish retina
JF  - Development
Y1  - 2001
SN  - 0950-1991
VL  - 128
IS  - 7
SP  - 1099
EP  - 1107
ER  - 
TY  - JOUR
A1  - Halbach, Thorsten
A1  - Scheer, Nico
T1  - Transcriptional activation by the PHD finger is inhibited through an adjacent leucine zipper that binds 14-3-3 proteins
JF  - Nucleic Acids Research
Y1  - 2000
U6  - http://dx.doi.org/10.1093/nar/28.18.3542
SN  - 1362-4962
VL  - 28
IS  - 18
SP  - 3542
EP  - 3550
ER  - 
TY  - JOUR
A1  - Scheer, Nico
A1  - Campos-Ortega, José A.
T1  - Use of the Gal4-UAS technique for targeted gene expression in the zebrafish
JF  - Mechanism of Development
Y1  - 1999
U6  - http://dx.doi.org/10.1016/S0925-4773(98)00209-3
SN  - 0925-4773
VL  - 80
IS  - 2
SP  - 153
EP  - 158
ER  - 
TY  - PAT
A1  - Friederici, Nadja-Annette
A1  - Hojdis, Nils
T1  - Fahrzeugreifen
N2  - Die Erfindung betrifft einen Fahrzeugreifen mit zumindest einem radial außen befindlichen Gummilaufstreifen, Wulstbereichen für 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 umweltschädlichen Substanzen, insbesondere im Innenstadtbereich, zu reduzieren weisen die Seitenwandbereiche auf der äußeren Oberfläche eine für den oxidativen Abbau von Molekülen photokatalytisch aktive Substanz auf.
Y1  - 2018
N1  - Patent DE102016219338A1 04.12.2018
ER  - 
TY  - PAT
A1  - Hojdis, Nils
A1  - Multhaupt, Hendrik
A1  - Recker, Carla
A1  - Wark, Michael
T1  - Schwefelvernetzbare Kautschukmischung, Vulkanisat der Kautschukmischung und Fahrzeugreifen
N2  - Die Erfindung betrifft eine schwefelvernetzbare Kautschukmischung, deren Vulkanisat und einen Fahrzeugreifen. Die erfindungsgemäße Kautschukmischung enthält wenigstens folgende Bestandteile: - Wenigstens einen Dienkautschuk; - wenigstens eine Kohle (HTC-Kohle), die mittels hydrothermaler Karbonisierung von wenigstens einer Ausgangssubstanz hergestellt ist. Der erfindungsgemäße Fahrzeugreifen weist in wenigstens einem Bauteil wenigstens ein erfindungsgemäßes Vulkanisat der Kautschukmischung auf.
Y1  - 2019
N1  - Patent EP3470457A1 17.04.2019
auch veröffentlicht unter WO2019072431A1
ER  - 
TY  - PAT
A1  - Dauer, David-Raphael
A1  - Hojdis, Nils
A1  - Müller, Norbert
A1  - Recker, Carla
A1  - Schax, Fabian
A1  - Schöffel, Julia
A1  - Tarantola, Gesa
A1  - Weber, Christine
T1  - Schwefelvernetzbare Kautschukmischung, Vulkanisat der Kautschukmischung und Fahrzeugreifen
N2  - Die Erfindung betrifft eine schwefelvernetzbare Kautschukmischung, deren Vulkanisat und einen Fahrzeugreifen. Die schwefelvernetzbare Kautschukmischung enthält wenigstens die folgenden Bestandteile: - wenigstens einen Dienkautschuk; und - 10 bis 300 phr wenigstens einer Kieselsäure; 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 ausgewählt ist aus Wasserstoff, C1-C20 Alkylgruppen, vorzugsweise C1-C17, C6-C20- Arylgruppen, vorzugsweise Phenyl, C2-C20-Alkenylgruppen und C7-C20-Aralkylgruppen.
Y1  - 2019
N1  - Patent WO2019105614A1 06.06.2019
auch veröffentlicht unter 
CN111386199A; DE102017221232A1; 
 TW201925306A
ER  - 
TY  - JOUR
A1  - Moret, J.L.T.M.
A1  - Alkemade, J.
A1  - Upcraft, T.M.
A1  - Paulßen, Elisabeth
A1  - Wolterbeek, H.T.
A1  - Ommen, J.R. van
A1  - Denkova, A.G.
T1  - The application of atomic layer deposition in the production of sorbents for ⁹⁹Mo/⁹⁹ᵐTc generator
JF  - Applied Radiation and Isotopes
N2  - 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.
Y1  - 2020
U6  - http://dx.doi.org/10.1016/j.apradiso.2020.109266
SN  - 0969-8043
VL  - 164
IS  - 109266
PB  - Elsevier
CY  - Amsterdam
ER  - 
TY  - JOUR
A1  - Schiedermeier, Maximilian
A1  - Rettner, Cornelius
A1  - Heilmann, Marcel
A1  - Schneider, Felix
A1  - Marz, Martin
T1  - Interference of automotive HV-DC-systems by traction voltage-source-inverters (VSI)
JF  - 2019 IEEE Transportation Electrification Conference (ITEC-India)
Y1  - 2019
U6  - http://dx.doi.org/10.1109/ITEC-India48457.2019.ITECINDIA2019-37
SP  - 1
EP  - 6
PB  - IEEE
CY  - New York
ER  - 
TY  - JOUR
A1  - El Moussaoui, Noureddine
A1  - Talbi, Sofian
A1  - Atmane, Ilyas
A1  - Kassmi, Khalil
A1  - Schwarzer, Klemens
A1  - Chayeb, Hamid
A1  - Bachiri, Najib
T1  - Feasibility of a new design of a Parabolic Trough Solar Thermal Cooker (PSTC)
JF  - Solar Energy
N2  - 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).
Y1  - 2020
U6  - http://dx.doi.org/10.1016/j.solener.2020.03.079
SN  - 0038-092X
VL  - 201
IS  - Vol. 201 (May 2020)
SP  - 866
EP  - 871
PB  - Elsevier
CY  - Amsterdam
ER  - 
TY  - JOUR
A1  - Muschallik, Lukas
A1  - Kipp, Carina Ronja
A1  - Recker, Inga
A1  - Bongaerts, Johannes
A1  - Pohl, Martina
A1  - Gelissen, Melanie
A1  - Schöning, Michael Josef
A1  - Selmer, Thorsten
A1  - Siegert, Petra
T1  - Synthesis of α-hydroxy ketones and vicinal diols with the Bacillus licheniformis DSM 13T butane-2, 3-diol dehydrogenase
JF  - Journal of Biotechnology
N2  - 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.
Y1  - 2020
SN  - 2590-1559
U6  - http://dx.doi.org/10.1016/j.jbiotec.2020.09.016
VL  - 202
IS  - Vol. 324
SP  - 61
EP  - 70
PB  - Elsevier
CY  - Amsterdam
ER  - 
TY  - JOUR
A1  - Mayer, Jan
A1  - Hentschke, Reinhard
A1  - Hager, Jonathan
A1  - Hojdis, Nils
A1  - Karimi-Varnaneh, Hossein Ali
T1  - A Nano-Mechanical Instability as Primary Contribution to Rolling Resistance
JF  - Scientific Reports
Y1  - 2017
SN  - 2045-2322
VL  - 7
IS  - Article number 11275
PB  - Springer
CY  - Berlin
ER  - 
TY  - JOUR
A1  - Svaneborg, Carsten
A1  - Karimi-Varzaneh, Hossein Ali
A1  - Hojdis, Nils
A1  - Fleck, Franz
A1  - Everaers, Ralf
T1  - Multiscale approach to equilibrating model polymer melts
JF  - Physical Review E
N2  - We present an effective and simple multiscale method for equilibrating Kremer Grest model polymer melts of varying stiffness. In our approach, we progressively equilibrate the melt structure above the tube scale, inside the tube and finally at the monomeric scale. We make use of models designed to be computationally effective at each scale. Density fluctuations in the melt structure above the tube scale are minimized through a Monte Carlo simulated annealing of a lattice polymer model. Subsequently the melt structure below the tube scale is equilibrated via the Rouse dynamics of a force-capped Kremer-Grest model that allows chains to partially interpenetrate. Finally the Kremer-Grest force field is introduced to freeze the topological state and enforce correct monomer packing. We generate 15 melts of 500 chains of 10.000 beads for varying chain stiffness as well as a number of melts with 1.000 chains of 15.000 monomers. To validate the equilibration process we study the time evolution of bulk, collective, and single-chain observables at the monomeric, mesoscopic, and macroscopic length scales. Extension of the present method to longer, branched, or polydisperse chains, and/or larger system sizes is straightforward.
Y1  - 2016
U6  - http://dx.doi.org/10.1103/PhysRevE.94.032502
SN  - 2470-0053
VL  - 94
IS  - 032502
PB  - AIP Publishing
CY  - Melville, NY
ER  - 
TY  - JOUR
A1  - Schwab, Lukas
A1  - Hojdis, Nils
A1  - Lacayo, Jorge
A1  - Wilhelm, Manfred
T1  - Fourier-Transform Rheology of Unvulcanized, Carbon Black Filled Styrene Butadiene Rubber
JF  - Macromolecular Materials and Engineering
N2  - 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.
Y1  - 2016
U6  - http://dx.doi.org/10.1002/mame.201500356
SN  - 1439-2054
VL  - 301
IS  - 4
SP  - 457
EP  - 468
PB  - Wiley-VCH
CY  - Weinheim
ER  - 
TY  - JOUR
A1  - Harish, Ajay B.
A1  - Wriggers, Peter
A1  - Jungk, Juliane
A1  - Hojdis, Nils
A1  - Recker, Carla
T1  - Mesoscale Constitutive Modeling of Non-Crystallizing Filled Elastomers
JF  - Computational Mechanics
N2  - 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.
Y1  - 2016
U6  - http://dx.doi.org/10.1007/s00466-015-1251-1
SN  - 1432-0924
VL  - 57
SP  - 653
EP  - 677
PB  - Springer
CY  - Berlin
ER  - 
TY  - JOUR
A1  - Hentschke, Reinhard
A1  - Hager, Jonathan
A1  - Hojdis, Nils
T1  - Molecular Modeling Approach to the Prediction of Mechanical Properties of Silica-Reinforced Rubbers
JF  - Journal of Applied Polymer Science
N2  - Recently, we have suggested a nanomechanical model for dissipative loss in filled elastomer networks in the context of the Payne effect. The mechanism is based on a total interfiller particle force exhibiting an intermittent loop, due to the combination of short-range repulsion and dispersion forces with a long-range elastic attraction. The sum of these forces leads, under external strain, to a spontaneous instability of “bonds” between the aggregates in a filler network and attendant energy dissipation. Here, we use molecular dynamics simulations to obtain chemically realistic forces between surface modified silica particles. The latter are combined with the above model to estimate the loss modulus and the low strain storage modulus in elastomers containing the aforementioned filler-compatibilizer systems. The model is compared to experimental dynamic moduli of silica filled rubbers. We find good agreement between the model predictions and the experiments as function of the compatibilizer's molecular structure and its bulk concentration.
KW  - theory and modeling
KW  - supramolecular structures
KW  - rubber
KW  - mechanical properties
KW  - elastomers
Y1  - 2014
U6  - http://dx.doi.org/10.1002/app.40806
SN  - 1097-4628
VL  - 131
IS  - 18
SP  - 1
EP  - 9
PB  - Wiley
CY  - New York, NY
ER  - 
TY  - PAT
A1  - Finger, Sebastian
A1  - Hojdis, Nils
A1  - Menglong, Huang
T1  - Sekundäre galvanische Zelle
N2  - Die vorliegende Erfindung betrifft eine sekundäre 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 Füllstoff als Kathodenmaterial gefüllt ist, wobei die Anode ein zweites elastomeres Polymer umfasst, welches mit einem zweiten Füllstoff als Anodenmaterial gefüllt ist, wobei der Separator ein drittes elastomeres Polymer umfasst, wobei das erste elastomere Polymer, das zweite elastomere Polymer und das dritte elastomere Polymer unabhängig voneinander aus vernetzungsfähigen Dienkautschuken ausgewählt sind, und wobei zumindest eines von dem ersten elastomeren Polymer, dem zweiten elastomeren Polymer und dem dritten elastomeren Polymer eine ionische Flüssigkeit und/oder ein elektrisch leitfähiges Polymer enthält. Die vorliegende Erfindung betrifft ferner eine wiederaufladbare Batterie, umfassend die erfindungsgemäße sekundäre galvanische Zelle, ein Verfahren zur Herstellung einer sekundären galvanischen Zelle sowie die Verwendung der erfindungsgemäßen sekundären galvanischen Zelle sowie der erfindungsgemäßen wiederaufladbaren Batterie.
Y1  - 2020
N1  - Patent DE102018222385A1 25.06.2020
auch veröffentlicht unter EP3671932A1
ER  - 
TY  - PAT
A1  - Hojdis, Nils
A1  - Recker, Carla
T1  - Schwefelvernetzte Kautschukmischung für Fahrzeugreifen enthaltend Carbon Nanotubes (cnt), Fahrzeugreifen, Der Die schwefelvernetzte Kautschukmischung aufweist, sowie Verfahren zur Herstellung der schwefelvernetzten Kautschukmischung enthaltend Cnt
Y1  - 2020
N1  - Patent EP000003625288A1 25.03.2020
auch veröffentlicht unter 
CN110678508A; DE102017208137A1; WO2018210471A1
ER  - 
TY  - PAT
A1  - Ehmke, Tobias
A1  - Finger, Sebastian
A1  - Hojdis, Nils
A1  - Kurz, Martin
A1  - Nawrocka-Herczynska, Monika
T1  - Funkeinheit und Vorrichtung mit einer Funkeinheit
N2  - Dargestellt und beansprucht ist eine Funkeinheit mit einem Funkbauteil, einer elektrisch leitfähigen Antenne und einem Kunststoffverbindungsmittel. Das Funkbauteil weist einen Antennenanschluss auf. Das Kunststoffverbindungsmittel weist ein erstes Elastomermaterial mit elektrisch leitfähigem Zusatzmaterial auf, so dass das Kunststoffverbindungsmittel elektrisch leitfähig ist. Das Kunststoffverbindungsmittel bildet eine mechanische und elektrisch leitfähige 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 vollständig in das Matrixmaterial eingebettet ist. Die Vorrichtung kann insbesondere ein Fahrzeugreifen sein.
Y1  - 2020
N1  - Patent DE102018222380A1 25.06.2020
ER  - 
TY  - PAT
A1  - Hojdis, Nils
T1  - Verfahren zum Bestimmen einer Sitzeinstellung eines Sitzes eines Kraftfahrzeugs, Computerprogrammprodukt, Servereinrichtung, Kommunikationsendgerät und Kraftfahrzeug
N2  - Die Erfindung betrifft ein Verfahren zum Bestimmen einer Sitzeinstellung (23) eines Sitzes (3) eines Kraftfahrzeugs (1), bei welchem folgende Schritte durchgeführt werden:- Bereitstellen einer Körperabmessung (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 Referenzkörperabmessung (21) und zumindest einer Referenzsitzeinstellung (22) trainiertes künstliches neuronales Netz (14); und- Bestimmen der Sitzeinstellung (23) durch Eingabe der Körperabmessung (12) und der Sitzeigenschaft (13) in das künstliche neuronale Netz (14).
Y1  - 2019
N1  - Patent DE102018211831A1 05.12.2019
ER  - 
TY  - PAT
A1  - Dauer, David-Raphael
A1  - Hojdis, Nils
A1  - Müller, Norbert
A1  - Recker, Carla
A1  - Schax, Fabian
A1  - Schöffel, Julia
A1  - Tarantola, Gesa
A1  - Weber, Christine
T1  - Schwefelvernetzbare Kautschukmischung, Vulkanisat der Kautschukmischung und Fahrzeugreifen
N2  - Die Erfindung betrifft eine schwefelvernetzbare Kautschukmischung, deren Vulkanisat und einen Fahrzeugreifen.Die schwefelvernetzbare Kautschukmischung enthält wenigstens die folgenden Bestandteile:- wenigstens einen Dienkautschuk; und- 10 bis 300 phr wenigstens einer Kieselsäure ; 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.
Y1  - 2019
N1  - Patent DE102017221236A1 29.05.2019
auch veröffentlicht unter CN111405987A; TW201925305A; WO2019105615A1
ER  - 
TY  - JOUR
A1  - Everaers, Ralf
A1  - Karimi-Varzaneh, Hossein Ali
A1  - Fleck, Franz
A1  - Hojdis, Nils
A1  - Svaneborg, Carsten
T1  - Kremer–Grest Models for Commodity Polymer Melts: Linking Theory, Experiment, and Simulation at the Kuhn Scale
JF  - Macromolecules
N2  - 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.
Y1  - 2020
U6  - http://dx.doi.org/10.1021/acs.macromol.9b02428
SN  - 1520-5835
VL  - 53
IS  - 6
SP  - 1901
EP  - 1916
PB  - ACS Publications
CY  - Washington, DC
ER  - 
TY  - JOUR
A1  - Meyer, Jan
A1  - Hentschke, Reinhard
A1  - Hager, Jonathan
A1  - Hojdis, Nils
A1  - Karimi-Varzaneh, Hossein Ali
T1  - Molecular Simulation of Viscous Dissipation due to Cyclic Deformation of a Silica–Silica Contact in Filled Rubber
JF  - Macromolecules
Y1  - 2017
U6  - http://dx.doi.org/10.1021/acs.macromol.7b00947
SN  - 1520-5835
VL  - 50
IS  - 17
SP  - 6679
EP  - 6689
ER  -