@article{KarschuckKaulenPoghossianetal.2021, author = {Karschuck, Tobias and Kaulen, Corinna and Poghossian, Arshak and Wagner, Patrick H. and Sch{\"o}ning, Michael Josef}, title = {Gold nanoparticle-modified capacitive field-effect sensors: Studying the surface density of nanoparticles and coupling of charged polyelectrolyte macromolecules}, series = {Electrochemical Science Advances}, volume = {2}, journal = {Electrochemical Science Advances}, number = {5}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {0938-5193}, doi = {10.1002/elsa.202100179}, pages = {10 Seiten}, year = {2021}, abstract = {The coupling of ligand-stabilized gold nanoparticles with field-effect devices offers new possibilities for label-free biosensing. In this work, we study the immobilization of aminooctanethiol-stabilized gold nanoparticles (AuAOTs) on the silicon dioxide surface of a capacitive field-effect sensor. The terminal amino group of the AuAOT is well suited for the functionalization with biomolecules. The attachment of the positively-charged AuAOTs on a capacitive field-effect sensor was detected by direct electrical readout using capacitance-voltage and constant capacitance measurements. With a higher particle density on the sensor surface, the measured signal change was correspondingly more pronounced. The results demonstrate the ability of capacitive field-effect sensors for the non-destructive quantitative validation of nanoparticle immobilization. In addition, the electrostatic binding of the polyanion polystyrene sulfonate to the AuAOT-modified sensor surface was studied as a model system for the label-free detection of charged macromolecules. Most likely, this approach can be transferred to the label-free detection of other charged molecules such as enzymes or antibodies.}, 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{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{ButenwegBursiPaolaccietal.2021, author = {Butenweg, Christoph and Bursi, Oreste S. and Paolacci, Fabrizio and Marinković, Marko and Lanese, Igor and Nardin, Chiara and Quinci, Gianluca}, title = {Seismic performance of an industrial multi-storey frame structure with process equipment subjected to shake table testing}, series = {Engineering Structures}, volume = {243}, journal = {Engineering Structures}, number = {15}, editor = {Yang, J.}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0141-0296}, doi = {10.1016/j.engstruct.2021.112681}, year = {2021}, abstract = {Past earthquakes demonstrated the high vulnerability of industrial facilities equipped with complex process technologies leading to serious damage of process equipment and multiple and simultaneous release of hazardous substances. Nonetheless, current standards for seismic design of industrial facilities are considered inadequate to guarantee proper safety conditions against exceptional events entailing loss of containment and related consequences. On these premises, the SPIF project -Seismic Performance of Multi-Component Systems in Special Risk Industrial Facilities- was proposed within the framework of the European H2020 SERA funding scheme. In detail, the objective of the SPIF project is the investigation of the seismic behaviour of a representative industrial multi-storey frame structure equipped with complex process components by means of shaking table tests. Along this main vein and in a performance-based design perspective, the issues investigated in depth are the interaction between a primary moment resisting frame (MRF) steel structure and secondary process components that influence the performance of the whole system; and a proper check of floor spectra predictions. The evaluation of experimental data clearly shows a favourable performance of the MRF structure, some weaknesses of local details due to the interaction between floor crossbeams and process components and, finally, the overconservatism of current design standards w.r.t. floor spectra predictions.}, language = {en} } @article{Gaigall2021, author = {Gaigall, Daniel}, title = {Test for Changes in the Modeled Solvency Capital Requirement of an Internal Risk Model}, series = {ASTIN Bulletin}, volume = {51}, journal = {ASTIN Bulletin}, number = {3}, publisher = {Cambridge Univ. Press}, address = {Cambridge}, issn = {1783-1350}, doi = {10.1017/asb.2021.20}, pages = {813 -- 837}, year = {2021}, abstract = {In the context of the Solvency II directive, the operation of an internal risk model is a possible way for risk assessment and for the determination of the solvency capital requirement of an insurance company in the European Union. A Monte Carlo procedure is customary to generate a model output. To be compliant with the directive, validation of the internal risk model is conducted on the basis of the model output. For this purpose, we suggest a new test for checking whether there is a significant change in the modeled solvency capital requirement. Asymptotic properties of the test statistic are investigated and a bootstrap approximation is justified. A simulation study investigates the performance of the test in the finite sample case and confirms the theoretical results. The internal risk model and the application of the test is illustrated in a simplified example. The method has more general usage for inference of a broad class of law-invariant and coherent risk measures on the basis of a paired sample.}, 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} } @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{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{RichterBraunsteinStaeudleetal.2021, author = {Richter, Charlotte and Braunstein, Bjoern and Staeudle, Benjamin and Attias, Julia and Suess, Alexander and Weber, Tobias and Mileva, Katya N. and Rittweger, Joern and Green, David A. and Albracht, Kirsten}, title = {Contractile behavior of the gastrocnemius medialis muscle during running in simulated hypogravity}, series = {npj Microgravity}, volume = {7}, journal = {npj Microgravity}, number = {Article number: 32}, publisher = {Springer Nature}, address = {New York}, issn = {2373-8065}, doi = {10.1038/s41526-021-00155-7}, pages = {7 Seiten}, year = {2021}, abstract = {Vigorous exercise countermeasures in microgravity can largely attenuate muscular degeneration, albeit the extent of applied loading is key for the extent of muscle wasting. Running on the International Space Station is usually performed with maximum loads of 70\% body weight (0.7 g). However, it has not been investigated how the reduced musculoskeletal loading affects muscle and series elastic element dynamics, and thereby force and power generation. Therefore, this study examined the effects of running on the vertical treadmill facility, a ground-based analog, at simulated 0.7 g on gastrocnemius medialis contractile behavior. The results reveal that fascicle-series elastic element behavior differs between simulated hypogravity and 1 g running. Whilst shorter peak series elastic element lengths at simulated 0.7 g appear to be the result of lower muscular and gravitational forces acting on it, increased fascicle lengths and decreased velocities could not be anticipated, but may inform the development of optimized running training in hypogravity. However, whether the alterations in contractile behavior precipitate musculoskeletal degeneration warrants further study.}, language = {en} }