@article{BreuerMangSchoeningetal.2017,
  author    = {Breuer, Lars and Mang, Thomas and Sch{\"o}ning, Michael Josef and Thoelen, Ronald and Wagner, Torsten},
  title     = {Investigation of the spatial resolution of a laser-based stimulation process for light-addressable hydrogels with incorporated graphene oxide by means of IR thermography},
  series = {Sensors and Actuators A: Physical},
  volume    = {268},
  journal   = {Sensors and Actuators A: Physical},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0924-4247},
  doi       = {10.1016/j.sna.2017.11.031},
  pages     = {126 -- 132},
  year      = {2017},
  language  = {en}
}
@article{ChristophBahrenbergVryetal.2008,
  author    = {Christoph, Thomas and Bahrenberg, Gregor and Vry, Jean de and Englberger, Werner and Erdmann, Volker A. and Frech, Moritz and K{\"o}gel, Babette and R{\"o}hl, Thomas and Schiene, Klaus and Schr{\"o}der, Wolfgang and Seibler, Jost and Kurreck, Jens},
  title     = {Investigation of TRPV1 loss-of-function phenotypes in transgenic shRNA expressing and knockout mice},
  series = {Molecular and Cellular Neuroscience},
  volume    = {37},
  journal   = {Molecular and Cellular Neuroscience},
  number    = {3},
  issn      = {1044-7431},
  doi       = {10.1016/j.mcn.2007.12.006},
  pages     = {579 -- 589},
  year      = {2008},
  language  = {en}
}
@article{FeuerriegelKlose1998,
  author    = {Feuerriegel, Uwe and Klose, W.},
  title     = {Investigations into the Mechanism of the Deactivation of a Palladium-Supported Catalyst by Hydrogen Sulfide Poisoning. Klose, W. ; Feuerriegel, U.},
  series = {Chemical engineering \& technology. 21 (1998), H. 7},
  journal   = {Chemical engineering \& technology. 21 (1998), H. 7},
  isbn      = {0930-7516},
  pages     = {562 -- 564},
  year      = {1998},
  language  = {en}
}
@article{BurmistrovaSobolevaMonakhova2021,
  author    = {Burmistrova, Natalia A. and Soboleva, Polina M. and Monakhova, Yulia},
  title     = {Is infrared spectroscopy combined with multivariate analysis a promising tool for heparin authentication?},
  series = {Journal of Pharmaceutical and Biomedical Analysis},
  volume    = {194},
  journal   = {Journal of Pharmaceutical and Biomedical Analysis},
  number    = {Article number: 113811},
  publisher = {Elsevier},
  address   = {Amsterdam},
  isbn      = {0731-7085},
  doi       = {10.1016/j.jpba.2020.113811},
  year      = {2021},
  abstract  = {The investigation of the possibility to determine various characteristics of powder heparin (n = 115) was carried out with infrared spectroscopy. The evaluation of heparin samples included several parameters such as purity grade, distributing company, animal source as well as heparin species (i.e. Na-heparin, Ca-heparin, and heparinoids). Multivariate analysis using principal component analysis (PCA), soft independent modelling of class analogy (SIMCA), and partial least squares - discriminant analysis (PLS-DA) were applied for the modelling of spectral data. Different pre-processing methods were applied to IR spectral data; multiplicative scatter correction (MSC) was chosen as the most relevant. Obtained results were confirmed by nuclear magnetic resonance (NMR) spectroscopy. Good predictive ability of this approach demonstrates the potential of IR spectroscopy and chemometrics for screening of heparin quality. This approach, however, is designed as a screening tool and is not considered as a replacement for either of the methods required by USP and FDA.},
  language  = {en}
}
@article{BurgerRumpfDoetal.2021,
  author    = {Burger, Ren{\´e} and Rumpf, Jessica and Do, Xuan Tung and Monakhova, Yulia and Diehl, Bernd W. K. and Rehahn, Matthias and Schulze, Margit},
  title     = {Is NMR combined with multivariate regression applicable for the molecular weight determination of randomly cross-linked polymers such as lignin?},
  series = {ACS Omega},
  volume    = {6},
  journal   = {ACS Omega},
  number    = {44},
  publisher = {ACS Publications},
  address   = {Washington, DC},
  issn      = {2470-1343},
  doi       = {10.1021/acsomega.1c03574},
  pages     = {29516 -- 29524},
  year      = {2021},
  abstract  = {The molecular weight properties of lignins are one of the key elements that need to be analyzed for a successful industrial application of these promising biopolymers. In this study, the use of 1H NMR as well as diffusion-ordered spectroscopy (DOSY NMR), combined with multivariate regression methods, was investigated for the determination of the molecular weight (Mw and Mn) and the polydispersity of organosolv lignins (n = 53, Miscanthus x giganteus, Paulownia tomentosa, and Silphium perfoliatum). The suitability of the models was demonstrated by cross validation (CV) as well as by an independent validation set of samples from different biomass origins (beech wood and wheat straw). CV errors of ca. 7-9 and 14-16\% were achieved for all parameters with the models from the 1H NMR spectra and the DOSY NMR data, respectively. The prediction errors for the validation samples were in a similar range for the partial least squares model from the 1H NMR data and for a multiple linear regression using the DOSY NMR data. The results indicate the usefulness of NMR measurements combined with multivariate regression methods as a potential alternative to more time-consuming methods such as gel permeation chromatography.},
  language  = {en}
}
@article{LindnerBurgerRutledgeetal.2022,
  author    = {Lindner, Simon and Burger, Ren{\´e} and Rutledge, Douglas N. and Do, Xuan Tung and Rumpf, Jessica and Diehl, Bernd W. K. and Schulze, Margit and Monakhova, Yulia},
  title     = {Is the calibration transfer of multivariate calibration models between high- and low-field NMR instruments possible? A case study of lignin molecular weight},
  series = {Analytical chemistry},
  volume    = {94},
  journal   = {Analytical chemistry},
  number    = {9},
  publisher = {ACS Publications},
  address   = {Washington, DC},
  isbn      = {1520-6882},
  doi       = {10.1021/acs.analchem.1c05125},
  pages     = {3997 -- 4004},
  year      = {2022},
  abstract  = {Although several successful applications of benchtop nuclear magnetic resonance (NMR) spectroscopy in quantitative mixture analysis exist, the possibility of calibration transfer remains mostly unexplored, especially between high- and low-field NMR. This study investigates for the first time the calibration transfer of partial least squares regressions [weight average molecular weight (Mw) of lignin] between high-field (600 MHz) NMR and benchtop NMR devices (43 and 60 MHz). For the transfer, piecewise direct standardization, calibration transfer based on canonical correlation analysis, and transfer via the extreme learning machine auto-encoder method are employed. Despite the immense resolution difference between high-field and low-field NMR instruments, the results demonstrate that the calibration transfer from high- to low-field is feasible in the case of a physical property, namely, the molecular weight, achieving validation errors close to the original calibration (down to only 1.2 times higher root mean square errors). These results introduce new perspectives for applications of benchtop NMR, in which existing calibrations from expensive high-field instruments can be transferred to cheaper benchtop instruments to economize.},
  language  = {en}
}
@article{KalbeKuropkaMeyerStorketal.1988,
  author    = {Kalbe, Jochen and Kuropka, Rolf and Meyer-Stork, L. Sebastian and Berndt, Heinz and Sauter, Sybille L. and Loss, Peter and Hendo, Karsten and Riesner, Detlev and H{\"o}cker, Hartwig},
  title     = {Isolation and characterization of high-molecular mass DNA from hair shafts},
  series = {Biological chemistry},
  volume    = {369},
  journal   = {Biological chemistry},
  number    = {1},
  isbn      = {0177-3593},
  doi       = {10.1515/bchm3.1988.369.1.413},
  pages     = {413 -- 416},
  year      = {1988},
  language  = {en}
}
@misc{SiekerDuwePothetal.2012,
  author    = {Sieker, T. and Duwe, A. and Poth, S. and Tippk{\"o}tter, Nils and Ulber, Roland},
  title     = {Itacons{\"a}ureherstellung aus Buchenholz-Hydrolysaten},
  series = {Chemie Ingenieur Technik},
  volume    = {84},
  journal   = {Chemie Ingenieur Technik},
  number    = {8},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {0009-286X},
  doi       = {10.1002/cite.201250414},
  pages     = {1300},
  year      = {2012},
  abstract  = {Aus h{\"o}lzernen Cellulosen und Hemicellulosen k{\"o}nnen durch enzymatische Hydrolyse fermentierbare Zucker f{\"u}r die Herstellung von Chemikalien und Treibstoffen gewonnen werden. Die bisherige Forschung fokussiert sich oft auf die Nutzung dieser Zucker zur Gewinnung von Ethanol. Daneben muss aber auch die stoffliche Nutzung zur Gewinnung von Grundchemikalien ber{\"u}cksichtigt werden. Eine solche Grundchemikalie ist Itakons{\"a}ure. Obwohl die biotechnologische Itacons{\"a}ureproduktion bereits eingehend untersucht und etabliert ist, gestaltet sie sich im Rahmen von Bioraffinerien der zweiten Generation als schwierig, da der {\"u}berwiegend verwendete Produktionsorganismus gegen eine weite Bandbreite von Inhibitoren sensibel ist. Die Herstellung von Itacons{\"a}ure aus Buchenholzhydrolysaten wird im Rahmen der deutschen Lignocellulose-Bioraffinerie entwickelt. Die unbehandelten Hydrolysate erm{\"o}glichen weder das Wachstum von Aspergillus terreus noch die Bildung von Itacons{\"a}ure. Daher werden M{\"o}glichkeiten zur Konditionierung des Hydrolysates mit dem Ziel einer Itacons{\"a}ureproduktion mit hohen Ausbeuten und Konzentrationen vorgestellt.},
  language  = {de}
}
@book{LauthHagemeyerLautensacketal.1999,
  author    = {Lauth, Jakob and Hagemeyer, Alfred and Lautensack, Thomas and Deimling, Axel},
  title     = {Katalysator und Verfahren f{\"u}r die katalytische oxidative Dehydrierung von Alkylaromaten = Catalyst and process for the catalytically oxidative dyhydrogenation of alkyl aromatics : Europ{\"a}ische Patentschrift EP0768996B1 ; EP-Patenterteilungsdatum: 12.05.1999 / Anmelder: BASF AG, 67063 Ludwigshafen. Erfinder: Alfred Hagemeyer ; G{\"u}nter Lauth ; Thomas Lautensack ; Axel Deimling},
  publisher = {Europ{\"a}isches Patentamt},
  address   = {[M{\"u}nchen u.a.]},
  pages     = {8 S. : Ill.},
  year      = {1999},
  language  = {de}
}
@misc{LauthHagemeyerLautensacketal.1996,
  author    = {Lauth, Jakob and Hagemeyer, Alfred and Lautensack, Thomas and Deimling, Axel},
  title     = {Katalysator und Verfahren f{\"u}r die katalytische oxidative Dehydrierung von Alkylaromaten und Paraffinen : Offenlegungsschrift DE4423975A1 ; Ver{\"o}ffentlichungstag im Patentblatt : 11.01.1996 / Anmelder: BASF AG, 67063 Ludwigshafen. Erfinder: Alfred Hagemeyer ; G{\"u}nter Lauth ; Thomas Lautensack ; Axel Deimling},
  publisher = {Deutsches Patent- und Markenamt},
  address   = {M{\"u}nchen},
  pages     = {8 S.},
  year      = {1996},
  language  = {de}
}
@misc{LauthHagemeyerLautensacketal.1996,
  author    = {Lauth, Jakob and Hagemeyer, Alfred and Lautensack, Thomas and Deimling, Axel},
  title     = {Katalysator und Verfahren f{\"u}r die katalytische oxidative Dehydrierung von Alkylaromaten und Paraffinen = Catalyst and process for the catalytically oxidative dyhydrogenation of alkyl aromatics and paraffins : Internationale [Patent]anmeldung WO 96/001796 ; Ver{\"o}ffentlichungsdatum: 25.01.1996 / Anmelder: BASF AG, 67063 Ludwigshafen. Erfinder: Alfred Hagemeyer ; G{\"u}nter Lauth ; Thomas Lautensack ; Axel Deimling},
  publisher = {Weltorganisation f{\"u}r geistiges Eigentum, Internat. B{\"u}ro},
  address   = {[Genf]},
  pages     = {21 S.},
  year      = {1996},
  language  = {de}
}
@article{KotterRiekertWeyland1983,
  author    = {Kotter, Michael and Riekert, L. and Weyland, F.},
  title     = {Katalytische Abgasreinigung an Nichtedelmetall-Tr{\"a}gerkontakten},
  series = {Verfahrenstechnik : VT ; Informationen f{\"u}r Planung, Bau und Betrieb von Apparaten und Anlagen. 17 (1983)},
  journal   = {Verfahrenstechnik : VT ; Informationen f{\"u}r Planung, Bau und Betrieb von Apparaten und Anlagen. 17 (1983)},
  isbn      = {0049-5948},
  pages     = {607 -- 615},
  year      = {1983},
  language  = {de}
}
@article{Kotter1992,
  author    = {Kotter, Michael},
  title     = {Katalytische Abluftreinigung mit integriertem regenerativem W{\"a}rmetausch},
  series = {Chemie - Ingenieur - Technik. 64 (1992), H. 9},
  journal   = {Chemie - Ingenieur - Technik. 64 (1992), H. 9},
  isbn      = {0009-286X},
  pages     = {848},
  year      = {1992},
  language  = {de}
}
@article{KotterLintzTurek1992,
  author    = {Kotter, Michael and Lintz, Hans-G{\"u}nther and Turek, Thomas},
  title     = {Katalytische Stickoxid-Reduktion in einem rotierenden W{\"a}rme{\"u}bertrager},
  series = {Chemie - Ingenieur - Technik. 64 (1992), H. 5},
  journal   = {Chemie - Ingenieur - Technik. 64 (1992), H. 5},
  isbn      = {0009-286X},
  pages     = {446 -- 448},
  year      = {1992},
  language  = {de}
}
@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}
}
@misc{Jeromin1999,
  author    = {Jeromin, G{\"u}nter Erich},
  title     = {Kohlens{\"a}urediester, deren Herstellung und Verwendung als Riechstoffe und Aromastoffe : Offenlegungsschrift DE19802198A1 ; Offenlegungstag: 29.07.1999},
  publisher = {Deutsches Patent- und Markenamt},
  address   = {M{\"u}nchen},
  pages     = {8 S. : graph. Darst.},
  year      = {1999},
  language  = {de}
}
@misc{EngelBayerUlberetal.2018,
  author    = {Engel, Mareike and Bayer, Hendrik and Ulber, Roland and Tippk{\"o}tter, Nils},
  title     = {Kommt es in Elektrofermentationen mit Clostridium acetobutylicum zu einer Eisenlimitierung?},
  series = {Chemie Ingenieur Technik},
  volume    = {90},
  journal   = {Chemie Ingenieur Technik},
  number    = {9},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {0009-286X},
  doi       = {10.1002/cite.201855047},
  pages     = {1154},
  year      = {2018},
  abstract  = {Das strikt anaerobe Bakterium Clostridium acetobutylicum bildet die L{\"o}semittel Aceton, Butanol und Ethanol (ABE-Fermentation). Im Fall einer Eisenlimitierung kommt es zus{\"a}tzlich zu einer Riboflavinsekretion (RF), was durch die gelbe F{\"a}rbung des Kultur{\"u}berstands erkennbar ist. In dieser Arbeit wurde beobachtet, dass w{\"a}hrend Elektrofermentationen mit C. acetobutylicum bei -600 mV eine gelbe F{\"a}rbung auftritt. Es wurde deshalb untersucht, ob eine Eisenlimitierung im bio-elektrochemischen System (BES) vorliegt. Hierzu wurden die Flavinspezien bei Kultivierungen in Medien mit einer Eisenlimitierung bzw. mit ausreichend Eisen in Serumflaschen sowie im BES mit und ohne angelegtem Potenzial verglichen. In den Serumflaschenversuchen wurden RF und Flavinadenindinukleotid (FAD)-Konzentrationen von ‡ 20 mg L⁻¹ sowie Flavinmononukleotid (FMN)-Konzentrationen von ca. 5 mg L⁻¹ detektiert. Bei ausreichender Eisenverf{\"u}gbarkeit hingegen wurden in den Serumflaschen fast keine Flavine sekretiert. Im BES bei -600 mV hingegen wurde auch in diesen Kultur{\"u}berst{\"a}nden FMN und FAD (1-5 mg L⁻¹ ),jedoch kein RF gemessen. Diese Ergebnisse zeigen, dass die Flavinbildung im BES mit angelegtem Potenzial nicht mit der Flavinbildung unter Eisenlimitierung in Serumflaschen korreliert. Andere Faktoren f{\"u}r eine m{\"o}gliche Flavinbildung werden aktuell n{\"a}her betrachtet.},
  language  = {de}
}
@article{SchererHoer1997,
  author    = {Scherer, Ulrich W. and H{\"o}r, G.},
  title     = {Kompartimentmodelle zur Quantifizierung des myokardialen Stoffwechsels mit PET / U. W. Scherer, G. H{\"o}r},
  series = {Kardiologische Nuklearmedizin / G. H{\"o}r [Hrsg.]},
  journal   = {Kardiologische Nuklearmedizin / G. H{\"o}r [Hrsg.]},
  publisher = {ecomed},
  address   = {Landsberg},
  isbn      = {3-609-62970-3},
  pages     = {179 -- 189},
  year      = {1997},
  language  = {de}
}
@article{SvaneborgKarimiVarzanehHojdisetal.2018,
  author    = {Svaneborg, Carsten and Karimi-Varzaneh, Hossein Ali and Hojdis, Nils and Fleck, Franz and Everaers, Ralf},
  title     = {Kremer-Grest Models for Universal Properties of Specific Common Polymer Species},
  series = {Soft Condensed Matter},
  journal   = {Soft Condensed Matter},
  number    = {1606.05008},
  year      = {2018},
  abstract  = {The Kremer-Grest (KG) bead-spring model is a near standard in Molecular Dynamic simulations of generic polymer properties. It owes its popularity to its computational efficiency, rather than its ability to represent specific polymer species and conditions. Here we investigate how to adapt the model to match the universal properties of a wide range of chemical polymers species. For this purpose we vary a single parameter originally introduced by Faller and M{\"u}ller-Plathe, the chain stiffness. Examples include polystyrene, polyethylene, polypropylene, cis-polyisoprene, polydimethylsiloxane, polyethyleneoxide and styrene-butadiene rubber. We do this by matching the number of Kuhn segments per chain and the number of Kuhn segments per cubic Kuhn volume for the polymer species and for the Kremer-Grest model. We also derive mapping relations for converting KG model units back to physical units, in particular we obtain the entanglement time for the KG model as function of stiffness allowing for a time mapping. To test these relations, we generate large equilibrated well entangled polymer melts, and measure the entanglement moduli using a static primitive-path analysis of the entangled melt structure as well as by simulations of step-strain deformation of the model melts. The obtained moduli for our model polymer melts are in good agreement with the experimentally expected moduli.},
  language  = {en}
}
@article{EveraersKarimiVarzanehFlecketal.2020,
  author    = {Everaers, Ralf and Karimi-Varzaneh, Hossein Ali and Fleck, Franz and Hojdis, Nils and Svaneborg, Carsten},
  title     = {Kremer-Grest Models for Commodity Polymer Melts: Linking Theory, Experiment, and Simulation at the Kuhn Scale},
  series = {Macromolecules},
  volume    = {53},
  journal   = {Macromolecules},
  number    = {6},
  publisher = {ACS Publications},
  address   = {Washington, DC},
  issn      = {1520-5835},
  doi       = {10.1021/acs.macromol.9b02428},
  pages     = {1901 -- 1916},
  year      = {2020},
  abstract  = {The Kremer-Grest (KG) polymer model is a standard model for studying generic polymer properties in molecular dynamics simulations. It owes its popularity to its simplicity and computational efficiency, rather than its ability to represent specific polymers species and conditions. Here we show that by tuning the chain stiffness it is possible to adapt the KG model to model melts of real polymers. In particular, we provide mapping relations from KG to SI units for a wide range of commodity polymers. The connection between the experimental and the KG melts is made at the Kuhn scale, i.e., at the crossover from the chemistry-specific small scale to the universal large scale behavior. We expect Kuhn scale-mapped KG models to faithfully represent universal properties dominated by the large scale conformational statistics and dynamics of flexible polymers. In particular, we observe very good agreement between entanglement moduli of our KG models and the experimental moduli of the target polymers.},
  language  = {en}
}