@article{ButenwegKubalskiElDeibetal.2021, author = {Butenweg, Christoph and Kubalski, Thomas and El-Deib, Khaled and Gellert, Christoph}, title = {Erdbebennachweis von Mauerwerksbauten nach DIN EN 1998-1/NA-2021}, series = {Bautechnik : Zeitschrift f{\"u}r den gesamten Ingenieurbau}, volume = {98}, journal = {Bautechnik : Zeitschrift f{\"u}r den gesamten Ingenieurbau}, number = {11}, editor = {Jesse, Dirk}, publisher = {Ernst \& Sohn}, address = {Berlin}, issn = {1437-0999}, doi = {10.1002/bate.202100064}, pages = {852 -- 863}, year = {2021}, abstract = {Mauerwerksbauten in Deutschland sind mit Einf{\"u}hrung des nationalen Anwendungsdokuments DIN EN 1998-1/NA auf Grundlage einer neuen probabilistischen Erdbebenkarte nachzuweisen. F{\"u}r erfolgreiche Erdbebennachweise {\"u}blicher Grundrissformen von Mauerwerksbauten stehen in dem zuk{\"u}nftigen Anwendungsdokument neue rechnerische Nachweism{\"o}glichkeiten zur Verf{\"u}gung, mit denen die Tragf{\"a}higkeitsreserven von Mauerwerksbauten in der Baupraxis mit einem {\"u}berschaubaren Aufwand besser in Ansatz gebracht werden k{\"o}nnen. Das Standardrechenverfahren ist weiterhin der kraftbasierte Nachweis, der nun mit h{\"o}heren Verhaltensbeiwerten im Vergleich zur DIN 4149 durchgef{\"u}hrt werden kann. Die h{\"o}heren Verhaltensbeiwerte basieren auf der besseren Ausnutzung der geb{\"a}udespezifischen Verformungsf{\"a}higkeit und Energiedissipation sowie der Lastumverteilung der Schubkr{\"a}fte im Grundriss mit Ansatz von Rahmentragwirkung durch Wand-Deckeninteraktionen. Alternativ dazu kann ein nichtlinearer Nachweis auf Grundlage von Pushover-Analysen zur Anwendung kommen. Vervollst{\"a}ndigt werden die Regelungen f{\"u}r Mauerwerksbauten durch neue Regelungen f{\"u}r nichttragende Innenw{\"a}nde und Außenmauerschalen. Der vorliegende Beitrag stellt die Grundlagen und Hintergr{\"u}nde der neuen rechnerischen Nachweise in DIN EN 1998-1/NA vor und demonstriert deren Anwendung an einem Beispiel aus der Praxis.}, language = {de} } @article{OertelBung2021, author = {Oertel, Mario and Bung, Daniel Bernhard}, title = {Hochwasserschutz - eine Aufgabe f{\"u}r eine nachhaltige Wasserwirtschaft}, series = {Wasserwirtschaft}, volume = {111}, journal = {Wasserwirtschaft}, number = {9-10}, publisher = {Springer Vieweg}, address = {Wiesbaden}, issn = {0043-0978}, pages = {3 -- 19}, year = {2021}, language = {de} } @article{SeefeldtDachwald2021, author = {Seefeldt, Patric and Dachwald, Bernd}, title = {Temperature increase on folded solar sail membranes}, series = {Advances in Space Research}, volume = {67}, journal = {Advances in Space Research}, number = {9}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0273-1177}, doi = {10.1016/j.asr.2020.09.026}, pages = {2688 -- 2695}, year = {2021}, language = {en} } @article{ValeroSchalkoFriedrichetal.2021, author = {Valero, Daniel and Schalko, Isabella and Friedrich, Heide and Abad, Jorge D. and Bung, Daniel Bernhard and Donchyts, Gennadii and Felder, Stefan and Ferreira, Rui M. L. and Hohermuth, Benjamin and Kramer, Matthias and Li, Danxun and Mendes, Luis and Moreno-Rodenas, Antonio and Nones, Michael and Paron, Paolo and Ruiz-Villanueva, Virginia and Wang, Ruo-Qian and Franca, Mario J.}, title = {Pathways towards democratization of hydro-environment observations and data}, series = {Iahr White Paper Series}, journal = {Iahr White Paper Series}, number = {1}, publisher = {International Association for Hydro-Environment Engineering and Research (IAHR)}, pages = {1 -- 9}, year = {2021}, language = {en} } @article{KoehlerRoepkeWolf2021, author = {K{\"o}hler, Klemens and R{\"o}pke, Ren{\´e} and Wolf, Martin R.}, title = {Through a mirror darkly - On the obscurity of teaching goals in game-based learning in IT security}, series = {ISAGA 2019: Simulation Gaming Through Times and Disciplines}, journal = {ISAGA 2019: Simulation Gaming Through Times and Disciplines}, publisher = {Springer}, address = {Cham}, doi = {10.1007/978-3-030-72132-9_6}, pages = {61 -- 73}, year = {2021}, abstract = {Teachers and instructors use very specific language communicating teaching goals. The most widely used frameworks of common reference are the Bloom's Taxonomy and the Revised Bloom's Taxonomy. The latter provides distinction of 209 different teaching goals which are connected to methods. In Competence Developing Games (CDGs - serious games to convey knowledge) and in IT security education, a two- or three level typology exists, reducing possible learning outcomes to awareness, training, and education. This study explores whether this much simpler framework succeeds in achieving the same range of learning outcomes. Method wise a keyword analysis was conducted. The results were threefold: 1. The words used to describe teaching goals in CDGs on IT security education do not reflect the whole range of learning outcomes. 2. The word choice is nevertheless different from common language, indicating an intentional use of language. 3. IT security CDGs use different sets of terms to describe learning outcomes, depending on whether they are awareness, training, or education games. The interpretation of the findings is that the reduction to just three types of CDGs reduces the capacity to communicate and think about learning outcomes and consequently reduces the outcomes that are intentionally achieved.}, language = {en} } @article{ElDeibButenwegKlinkel2021, author = {El-Deib, Khaled and Butenweg, Christoph and Klinkel, Sven}, title = {Erdbebennachweis von Mauerwerksbauten mit realistischen Modellen und erh{\"o}hten Verhaltensbeiwerten}, series = {Mauerwerk}, volume = {2021}, journal = {Mauerwerk}, number = {3}, editor = {Jesse, Dirk}, publisher = {Wiley}, address = {Weinheim}, issn = {1437-1022}, doi = {10.1002/dama.202110014}, pages = {110 -- 119}, year = {2021}, abstract = {Die Anwendung des linearen Nachweiskonzepts auf Mauerwerksbauten f{\"u}hrt dazu, dass bereits heute Standsicherheitsnachweise f{\"u}r Geb{\"a}ude mit {\"u}blichen Grundrissen in Gebieten mit moderaten Erdbebeneinwirkungen nicht mehr gef{\"u}hrt werden k{\"o}nnen. Diese Problematik wird sich in Deutschland mit der Einf{\"u}hrung kontinuierlicher probabilistischer Erdbebenkarten weiter versch{\"a}rfen. Aufgrund der Erh{\"o}hung der seismischen Einwirkungen, die sich vielerorts ergibt, ist es erforderlich, die vorhandenen, bislang nicht ber{\"u}cksichtigten Tragf{\"a}higkeitsreserven in nachvollziehbaren Nachweiskonzepten in der Baupraxis verf{\"u}gbar zu machen. Der vorliegende Beitrag stellt ein Konzept f{\"u}r die geb{\"a}udespezifische Ermittlung von erh{\"o}hten Verhaltensbeiwerten vor. Die Verhaltensbeiwerte setzen sich aus drei Anteilen zusammen, mit denen die Lastumverteilung im Grundriss, die Verformungsf{\"a}higkeit und Energiedissipation sowie die {\"U}berfestigkeiten ber{\"u}cksichtigt werden. F{\"u}r die rechnerische Ermittlung dieser drei Anteile wird ein nichtlineares Nachweiskonzept auf Grundlage von Pushover-Analysen vorgeschlagen, in denen die Interaktionen von W{\"a}nden und Geschossdecken durch einen Einspanngrad beschrieben werden. F{\"u}r die Bestimmung der Einspanngrade wird ein nichtlinearer Modellierungsansatz eingef{\"u}hrt, mit dem die Interaktion von W{\"a}nden und Decken abgebildet werden kann. Die Anwendung des Konzepts mit erh{\"o}hten geb{\"a}udespezifischen Verhaltensbeiwerten wird am Beispiel eines Mehrfamilienhauses aus Kalksandsteinen demonstriert. Die Ergebnisse der linearen Nachweise mit erh{\"o}hten Verhaltensbeiwerten f{\"u}r dieses Geb{\"a}ude liegen deutlich n{\"a}her an den Ergebnissen nichtlinearer Nachweise und somit bleiben {\"u}bliche Grundrisse in Erdbebengebieten mit den traditionellen linearen Rechenans{\"a}tzen nachweisbar.}, language = {de} } @article{KaschSchmidtJahnetal.2021, author = {Kasch, Susanne and Schmidt, Thomas and Jahn, Simon and Eichler, Fabian and Thurn, Laura and Bremen, Sebastian}, title = {L{\"o}sungsans{\"a}tze und Verfahrenskonzepte zum Laserstrahlschmelzen von Glas}, series = {Schweissen und Schneiden}, volume = {73}, journal = {Schweissen und Schneiden}, number = {Heft 1-2}, publisher = {DVS Verlag}, address = {D{\"u}sseldorf}, isbn = {0036-7184}, pages = {32 -- 39}, year = {2021}, language = {de} } @article{JablonskiPoghossianKeusgenetal.2021, author = {Jablonski, Melanie and Poghossian, Arshak and Keusgen, Michael and Wege, Christina and Sch{\"o}ning, Michael Josef}, title = {Detection of plant virus particles with a capacitive field-effect sensor}, series = {Analytical and Bioanalytical Chemistry}, volume = {413}, journal = {Analytical and Bioanalytical Chemistry}, publisher = {Springer Nature}, address = {Cham}, issn = {1618-2650}, doi = {10.1007/s00216-021-03448-8}, pages = {5669 -- 5678}, year = {2021}, abstract = {Plant viruses are major contributors to crop losses and induce high economic costs worldwide. For reliable, on-site and early detection of plant viral diseases, portable biosensors are of great interest. In this study, a field-effect SiO2-gate electrolyte-insulator-semiconductor (EIS) sensor was utilized for the label-free electrostatic detection of tobacco mosaic virus (TMV) particles as a model plant pathogen. The capacitive EIS sensor has been characterized regarding its TMV sensitivity by means of constant-capacitance method. The EIS sensor was able to detect biotinylated TMV particles from a solution with a TMV concentration as low as 0.025 nM. A good correlation between the registered EIS sensor signal and the density of adsorbed TMV particles assessed from scanning electron microscopy images of the SiO2-gate chip surface was observed. Additionally, the isoelectric point of the biotinylated TMV particles was determined via zeta potential measurements and the influence of ionic strength of the measurement solution on the TMV-modified EIS sensor signal has been studied.}, language = {en} } @article{PoghossianSchoening2021, author = {Poghossian, Arshak and Sch{\"o}ning, Michael Josef}, title = {Recent progress in silicon-based biologically sensitive field-effect devices}, series = {Current Opinion in Electrochemistry}, journal = {Current Opinion in Electrochemistry}, number = {Article number: 100811}, publisher = {Elsevier}, address = {Amsterdam}, issn = {2451-9103}, doi = {10.1016/j.coelec.2021.100811}, year = {2021}, abstract = {Biologically sensitive field-effect devices (BioFEDs) advantageously combine the electronic field-effect functionality with the (bio)chemical receptor's recognition ability for (bio)chemical sensing. In this review, basic and widely applied device concepts of silicon-based BioFEDs (ion-sensitive field-effect transistor, silicon nanowire transistor, electrolyte-insulator-semiconductor capacitor, light-addressable potentiometric sensor) are presented and recent progress (from 2019 to early 2021) is discussed. One of the main advantages of BioFEDs is the label-free sensing principle enabling to detect a large variety of biomolecules and bioparticles by their intrinsic charge. The review encompasses applications of BioFEDs for the label-free electrical detection of clinically relevant protein biomarkers, deoxyribonucleic acid molecules and viruses, enzyme-substrate reactions as well as recording of the cell acidification rate (as an indicator of cellular metabolism) and the extracellular potential.}, language = {en} } @article{GriegerSchwabedalWendeletal.2021, author = {Grieger, Niklas and Schwabedal, Justus T. C. and Wendel, Stefanie and Ritze, Yvonne and Bialonski, Stephan}, title = {Automated scoring of pre-REM sleep in mice with deep learning}, series = {Scientific Reports}, volume = {11}, journal = {Scientific Reports}, number = {Art. 12245}, publisher = {Springer Nature}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-021-91286-0}, year = {2021}, abstract = {Reliable automation of the labor-intensive manual task of scoring animal sleep can facilitate the analysis of long-term sleep studies. In recent years, deep-learning-based systems, which learn optimal features from the data, increased scoring accuracies for the classical sleep stages of Wake, REM, and Non-REM. Meanwhile, it has been recognized that the statistics of transitional stages such as pre-REM, found between Non-REM and REM, may hold additional insight into the physiology of sleep and are now under vivid investigation. We propose a classification system based on a simple neural network architecture that scores the classical stages as well as pre-REM sleep in mice. When restricted to the classical stages, the optimized network showed state-of-the-art classification performance with an out-of-sample F1 score of 0.95 in male C57BL/6J mice. When unrestricted, the network showed lower F1 scores on pre-REM (0.5) compared to the classical stages. The result is comparable to previous attempts to score transitional stages in other species such as transition sleep in rats or N1 sleep in humans. Nevertheless, we observed that the sequence of predictions including pre-REM typically transitioned from Non-REM to REM reflecting sleep dynamics observed by human scorers. Our findings provide further evidence for the difficulty of scoring transitional sleep stages, likely because such stages of sleep are under-represented in typical data sets or show large inter-scorer variability. We further provide our source code and an online platform to run predictions with our trained network.}, language = {en} } @article{JablonskiPoghossianSeverinetal.2021, author = {Jablonski, Melanie and Poghossian, Arshak and Severin, Robin and Keusgen, Michael and Wege, Christian and Sch{\"o}ning, Michael Josef}, title = {Capacitive Field-Effect Biosensor Studying Adsorption of Tobacco Mosaic Virus Particles}, series = {Micromachines}, volume = {12}, journal = {Micromachines}, number = {1}, publisher = {MDPI}, address = {Basel}, doi = {10.3390/mi12010057}, pages = {Artikel 57}, year = {2021}, abstract = {Plant virus-like particles, and in particular, tobacco mosaic virus (TMV) particles, are increasingly being used in nano- and biotechnology as well as for biochemical sensing purposes as nanoscaffolds for the high-density immobilization of receptor molecules. The sensitive parameters of TMV-assisted biosensors depend, among others, on the density of adsorbed TMV particles on the sensor surface, which is affected by both the adsorption conditions and surface properties of the sensor. In this work, Ta₂O₅-gate field-effect capacitive sensors have been applied for the label-free electrical detection of TMV adsorption. The impact of the TMV concentration on both the sensor signal and the density of TMV particles adsorbed onto the Ta₂O₅-gate surface has been studied systematically by means of field-effect and scanning electron microscopy methods. In addition, the surface density of TMV particles loaded under different incubation times has been investigated. Finally, the field-effect sensor also demonstrates the label-free detection of penicillinase immobilization as model bioreceptor on TMV particles.}, language = {en} } @article{HarzheimMuehmelHeuermann2021, author = {Harzheim, Thomas and M{\"u}hmel, Marc and Heuermann, Holger}, title = {A SFCW harmonic radar system for maritime search and rescue using passive and active tags}, series = {International Journal of Microwave and Wireless Technologies}, volume = {13}, journal = {International Journal of Microwave and Wireless Technologies}, number = {Special Issue 7}, publisher = {Cambridge University Press}, address = {Cambridge}, doi = {10.1017/S1759078721000520}, pages = {691 -- 707}, year = {2021}, abstract = {This paper introduces a new maritime search and rescue system based on S-band illumination harmonic radar (HR). Passive and active tags have been developed and tested while attached to life jackets and a small boat. In this demonstration test carried out on the Baltic Sea, the system was able to detect and range the active tags up to a distance of 5800 m using an illumination signal transmit-power of 100 W. Special attention is given to the development, performance, and conceptual differences between passive and active tags used in the system. Guidelines for achieving a high HR dynamic range, including a system components description, are given and a comparison with other HR systems is performed. System integration with a commercial maritime X-band navigation radar is shown to demonstrate a solution for rapid search and rescue response and quick localization.}, language = {en} } @article{Golland2021, author = {Golland, Alexander}, title = {Das Telekommunikation-Telemedien-Datenschutzgesetz. Cookies und PIMS als Herausforderungen f{\"u}r Website-Betreiber}, series = {NJW Neue Juristische Wochenschrift}, journal = {NJW Neue Juristische Wochenschrift}, number = {31}, editor = {Ewer, Wolfgang and Hamm, Rainer and Karpenstein, Ulrich and Oberth{\"u}r, Nathalie and Herchen, Hilke and Br{\"a}utigam, Peter}, publisher = {Beck}, address = {M{\"u}nchen}, issn = {0341-1915}, pages = {2238 -- 2243}, year = {2021}, language = {de} } @article{MonakhovaDiehl2021, author = {Monakhova, Yulia and Diehl, Bernd W.K.}, title = {Novel approach of qNMR workflow by standardization using 2H integral: Application to any intrinsic calibration standard}, series = {Talanta}, volume = {222}, journal = {Talanta}, number = {Article number: 121504}, publisher = {Elsevier}, isbn = {0039-9140}, doi = {10.1016/j.talanta.2020.121504}, year = {2021}, abstract = {Quantitative nuclear magnetic resonance (qNMR) is routinely performed by the internal or external standardization. The manuscript describes a simple alternative to these common workflows by using NMR signal of another active nuclei of calibration compound. For example, for any arbitrary compound quantification by NMR can be based on the use of an indirect concentration referencing that relies on a solvent having both 1H and 2H signals. To perform high-quality quantification, the deuteration level of the utilized deuterated solvent has to be estimated. In this contribution the new method was applied to the determination of deuteration levels in different deuterated solvents (MeOD, ACN, CDCl3, acetone, benzene, DMSO-d6). Isopropanol-d6, which contains a defined number of deuterons and protons, was used for standardization. Validation characteristics (precision, accuracy, robustness) were calculated and the results showed that the method can be used in routine practice. Uncertainty budget was also evaluated. In general, this novel approach, using standardization by 2H integral, benefits from reduced sample preparation steps and uncertainties, and can be applied in different application areas (purity determination, forensics, pharmaceutical analysis, etc.).}, language = {en} } @article{MonakhovaDiehl2021, author = {Monakhova, Yulia and Diehl, Bernd W. K.}, title = {A step towards optimization of the qNMR workflow: proficiency testing exercise at an GxP-accredited laboratory}, series = {Applied Magnetic Resonance}, volume = {52}, journal = {Applied Magnetic Resonance}, publisher = {Springer Nature}, address = {Wien}, issn = {1613-7507}, doi = {10.1007/s00723-021-01324-3}, pages = {581 -- 593}, year = {2021}, abstract = {Quantitative nuclear magnetic resonance (qNMR) is considered as a powerful tool for multicomponent mixture analysis as well as for the purity determination of single compounds. Special attention is currently paid to the training of operators and study directors involved in qNMR testing. To assure that only qualified personnel are used for sample preparation at our GxP-accredited laboratory, weighing test was proposed. Sixteen participants performed six-fold weighing of the binary mixture of dibutylated hydroxytoluene (BHT) and 1,2,4,5-tetrachloro-3-nitrobenzene (TCNB). To evaluate the quality of data analysis, all spectra were evaluated manually by a qNMR expert and using in-house developed automated routine. The results revealed that mean values are comparable and both evaluation approaches are free of systematic error. However, automated evaluation resulted in an approximately 20\% increase in precision. The same findings were revealed for qNMR analysis of 32 compounds used in pharmaceutical industry. Weighing test by six-fold determination in binary mixtures and automated qNMR methodology can be recommended as efficient tools for evaluating staff proficiency. The automated qNMR method significantly increases throughput and precision of qNMR for routine measurements and extends application scope of qNMR.}, language = {en} } @article{EngelmannShalabyShashaetal.2021, author = {Engelmann, Ulrich M. and Shalaby, Ahmed and Shasha, Carolyn and Krishnan, Kannan M. and Krause, Hans-Joachim}, title = {Comparative modeling of frequency mixing measurements of magnetic nanoparticles using micromagnetic simulations and Langevin theory}, series = {Nanomaterials}, volume = {11}, journal = {Nanomaterials}, number = {5}, publisher = {MDPI}, address = {Basel}, isbn = {2079-4991}, doi = {10.3390/nano11051257}, pages = {1 -- 16}, year = {2021}, abstract = {Dual frequency magnetic excitation of magnetic nanoparticles (MNP) enables enhanced biosensing applications. This was studied from an experimental and theoretical perspective: nonlinear sum-frequency components of MNP exposed to dual-frequency magnetic excitation were measured as a function of static magnetic offset field. The Langevin model in thermodynamic equilibrium was fitted to the experimental data to derive parameters of the lognormal core size distribution. These parameters were subsequently used as inputs for micromagnetic Monte-Carlo (MC)-simulations. From the hysteresis loops obtained from MC-simulations, sum-frequency components were numerically demodulated and compared with both experiment and Langevin model predictions. From the latter, we derived that approximately 90\% of the frequency mixing magnetic response signal is generated by the largest 10\% of MNP. We therefore suggest that small particles do not contribute to the frequency mixing signal, which is supported by MC-simulation results. Both theoretical approaches describe the experimental signal shapes well, but with notable differences between experiment and micromagnetic simulations. These deviations could result from Brownian relaxations which are, albeit experimentally inhibited, included in MC-simulation, or (yet unconsidered) cluster-effects of MNP, or inaccurately derived input for MC-simulations, because the largest particles dominate the experimental signal but concurrently do not fulfill the precondition of thermodynamic equilibrium required by Langevin theory.}, language = {en} } @article{Golland2021, author = {Golland, Alexander}, title = {Anforderungen an Transfer Impact Assessments bei Datentransfers in unsichere Drittl{\"a}nder}, series = {DSB Datenschutz-Berater}, volume = {45}, journal = {DSB Datenschutz-Berater}, number = {7-8}, publisher = {DFV Mediengruppe}, address = {Frankfurt a.M.}, isbn = {0170-7256}, pages = {229 -- 231}, year = {2021}, language = {de} } @article{BergsMonakhovaDiehletal.2021, author = {Bergs, Michel and Monakhova, Yulia and Diehl, Bernd W. and Konow, Christopher and V{\"o}lkering, Georg and Pude, Ralf and Schulze, Margit}, title = {Lignins isolated via catalyst-free organosolv pulping from Miscanthus x giganteus, M. sinensis, M. robustus and M. nagara: a comparative study}, series = {Molecules}, volume = {26}, journal = {Molecules}, number = {4}, publisher = {MDPI}, address = {Basel}, issn = {1420-3049}, doi = {10.3390/molecules26040842}, year = {2021}, abstract = {As a low-input crop, Miscanthus offers numerous advantages that, in addition to agricultural applications, permits its exploitation for energy, fuel, and material production. Depending on the Miscanthus genotype, season, and harvest time as well as plant component (leaf versus stem), correlations between structure and properties of the corresponding isolated lignins differ. Here, a comparative study is presented between lignins isolated from M. x giganteus, M. sinensis, M. robustus and M. nagara using a catalyst-free organosolv pulping process. The lignins from different plant constituents are also compared regarding their similarities and differences regarding monolignol ratio and important linkages. Results showed that the plant genotype has the weakest influence on monolignol content and interunit linkages. In contrast, structural differences are more significant among lignins of different harvest time and/or season. Analyses were performed using fast and simple methods such as nuclear magnetic resonance (NMR) spectroscopy. Data was assigned to four different linkages (A: β-O-4 linkage, B: phenylcoumaran, C: resinol, D: β-unsaturated ester). In conclusion, A content is particularly high in leaf-derived lignins at just under 70\% and significantly lower in stem and mixture lignins at around 60\% and almost 65\%. The second most common linkage pattern is D in all isolated lignins, the proportion of which is also strongly dependent on the crop portion. Both stem and mixture lignins, have a relatively high share of approximately 20\% or more (maximum is M. sinensis Sin2 with over 30\%). In the leaf-derived lignins, the proportions are significantly lower on average. Stem samples should be chosen if the highest possible lignin content is desired, specifically from the M. x giganteus genotype, which revealed lignin contents up to 27\%. Due to the better frost resistance and higher stem stability, M. nagara offers some advantages compared to M. x giganteus. Miscanthus crops are shown to be very attractive lignocellulose feedstock (LCF) for second generation biorefineries and lignin generation in Europe.}, language = {en} } @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{MonakhovaDiehl2021, author = {Monakhova, Yulia and Diehl, Bernd W. K.}, title = {Simplification of NMR Workflows by Standardization Using 2H Integral of Deuterated Solvent as Applied to Aloe vera Preparations}, series = {Applied Magnetic Resonance}, volume = {52}, journal = {Applied Magnetic Resonance}, number = {11}, publisher = {Springer}, address = {Cham}, issn = {1613-7507}, doi = {10.1007/s00723-021-01393-4}, pages = {1591 -- 1600}, year = {2021}, abstract = {In this study, a recently proposed NMR standardization approach by 2H integral of deuterated solvent for quantitative multicomponent analysis of complex mixtures is presented. As a proof of principle, the existing NMR routine for the analysis of Aloe vera products was modified. Instead of using absolute integrals of targeted compounds and internal standard (nicotinamide) from 1H-NMR spectra, quantification was performed based on the ratio of a particular 1H-NMR compound integral and 2H-NMR signal of deuterated solvent D2O. Validation characteristics (linearity, repeatability, accuracy) were evaluated and the results showed that the method has the same precision as internal standardization in case of multicomponent screening. Moreover, a dehydration process by freeze drying is not necessary for the new routine. Now, our NMR profiling of A. vera products needs only limited sample preparation and data processing. The new standardization methodology provides an appealing alternative for multicomponent NMR screening. In general, this novel approach, using standardization by 2H integral, benefits from reduced sample preparation steps and uncertainties, and is recommended in different application areas (purity determination, forensics, pharmaceutical analysis, etc.).}, language = {en} }