TY - JOUR A1 - Karschuck, Tobias A1 - Kaulen, Corinna A1 - Poghossian, Arshak A1 - Wagner, Patrick H. A1 - Schöning, Michael Josef T1 - Gold nanoparticle-modified capacitive field-effect sensors: Studying the surface density of nanoparticles and coupling of charged polyelectrolyte macromolecules JF - Electrochemical Science Advances N2 - 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. KW - polystyrene sulfonate KW - gold nanoparticles KW - field-effect sensor KW - detection of charged macromolecules KW - capacitive EIS sensor Y1 - 2021 U6 - https://doi.org/10.1002/elsa.202100179 SN - 0938-5193 VL - 2 IS - 5 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - El-Deib, Khaled A1 - Butenweg, Christoph A1 - Klinkel, Sven ED - Jesse, Dirk T1 - Erdbebennachweis von Mauerwerksbauten mit realistischen Modellen und erhöhten Verhaltensbeiwerten JF - Mauerwerk N2 - Die Anwendung des linearen Nachweiskonzepts auf Mauerwerksbauten führt dazu, dass bereits heute Standsicherheitsnachweise für Gebäude mit üblichen Grundrissen in Gebieten mit moderaten Erdbebeneinwirkungen nicht mehr geführt werden können. Diese Problematik wird sich in Deutschland mit der Einführung kontinuierlicher probabilistischer Erdbebenkarten weiter verschärfen. Aufgrund der Erhöhung der seismischen Einwirkungen, die sich vielerorts ergibt, ist es erforderlich, die vorhandenen, bislang nicht berücksichtigten Tragfähigkeitsreserven in nachvollziehbaren Nachweiskonzepten in der Baupraxis verfügbar zu machen. Der vorliegende Beitrag stellt ein Konzept für die gebäudespezifische Ermittlung von erhöhten Verhaltensbeiwerten vor. Die Verhaltensbeiwerte setzen sich aus drei Anteilen zusammen, mit denen die Lastumverteilung im Grundriss, die Verformungsfähigkeit und Energiedissipation sowie die Überfestigkeiten berücksichtigt werden. Für die rechnerische Ermittlung dieser drei Anteile wird ein nichtlineares Nachweiskonzept auf Grundlage von Pushover-Analysen vorgeschlagen, in denen die Interaktionen von Wänden und Geschossdecken durch einen Einspanngrad beschrieben werden. Für die Bestimmung der Einspanngrade wird ein nichtlinearer Modellierungsansatz eingeführt, mit dem die Interaktion von Wänden und Decken abgebildet werden kann. Die Anwendung des Konzepts mit erhöhten gebäudespezifischen Verhaltensbeiwerten wird am Beispiel eines Mehrfamilienhauses aus Kalksandsteinen demonstriert. Die Ergebnisse der linearen Nachweise mit erhöhten Verhaltensbeiwerten für dieses Gebäude liegen deutlich näher an den Ergebnissen nichtlinearer Nachweise und somit bleiben übliche Grundrisse in Erdbebengebieten mit den traditionellen linearen Rechenansätzen nachweisbar. N2 - Seismic verification of masonry buildings based on realistic calculation models and increased behavior factorsWith the application of the traditional linear verification con­cept to masonry structures it is already no longer possible to carry out structural safety verifications even for buildings with standard ground plan configurations in areas with moderate seismicity. This problem will be exacerbated in Germany with the introduction of continuous probabilistic earthquake maps. Due to the increased seismic actions, it is necessary to make the existing load­bearing capacity reserves that have not yet been taken into account available in comprehensible verifica­tion concepts in construction practice. This article presents a concept for the building­specific determination of increased behavior factors. The behavior factors are composed of three components, which take into account the load redistribution in ground plans, the deformation capability and energy dissipation and all kinds of overstrength effects. For the calculation of these three components, a non­linear verification concept based on pushover analyses is applied, in which the interac­tions of walls and floor slabs are described by a level of re­straint. A non­linear modeling approach of the overall building is introduced for the determination of the restraint levels, with which the interaction of walls and floor slabs can be simulated. The results of the linear verifications with increased behavior factors for this building are significantly closer to the results of non­linear verifications and thus the standard ground plan con­figurations in areas with moderate seismicity can still be veri­fied with the traditional linear calculation approaches. KW - Mauerwerksbauten KW - Erdbebeneinwirkung KW - Bemessung KW - Verhaltensbeiwerte KW - Pushover­Analysen Y1 - 2021 U6 - https://doi.org/10.1002/dama.202110014 SN - 1437-1022 SN - 1432-3427 VL - 2021 IS - 3 SP - 110 EP - 119 PB - Wiley CY - Weinheim ER - TY - JOUR A1 - Butenweg, Christoph A1 - Kubalski, Thomas A1 - El-Deib, Khaled A1 - Gellert, Christoph ED - Jesse, Dirk T1 - Erdbebennachweis von Mauerwerksbauten nach DIN EN 1998-1/NA-2021 JF - Bautechnik : Zeitschrift für den gesamten Ingenieurbau N2 - Mauerwerksbauten in Deutschland sind mit Einführung des nationalen Anwendungsdokuments DIN EN 1998-1/NA auf Grundlage einer neuen probabilistischen Erdbebenkarte nachzuweisen. Für erfolgreiche Erdbebennachweise üblicher Grundrissformen von Mauerwerksbauten stehen in dem zukünftigen Anwendungsdokument neue rechnerische Nachweismöglichkeiten zur Verfügung, mit denen die Tragfähigkeitsreserven von Mauerwerksbauten in der Baupraxis mit einem überschaubaren Aufwand besser in Ansatz gebracht werden können. Das Standardrechenverfahren ist weiterhin der kraftbasierte Nachweis, der nun mit höheren Verhaltensbeiwerten im Vergleich zur DIN 4149 durchgeführt werden kann. Die höheren Verhaltensbeiwerte basieren auf der besseren Ausnutzung der gebäudespezifischen Verformungsfähigkeit und Energiedissipation sowie der Lastumverteilung der Schubkräfte im Grundriss mit Ansatz von Rahmentragwirkung durch Wand-Deckeninteraktionen. Alternativ dazu kann ein nichtlinearer Nachweis auf Grundlage von Pushover-Analysen zur Anwendung kommen. Vervollständigt werden die Regelungen für Mauerwerksbauten durch neue Regelungen für nichttragende Innenwände und Außenmauerschalen. Der vorliegende Beitrag stellt die Grundlagen und Hintergründe der neuen rechnerischen Nachweise in DIN EN 1998-1/NA vor und demonstriert deren Anwendung an einem Beispiel aus der Praxis. Y1 - 2021 U6 - https://doi.org/10.1002/bate.202100064 SN - 1437-0999 SN - 0005-6820, 0932-8351 VL - 98 IS - 11 SP - 852 EP - 863 PB - Ernst & Sohn CY - Berlin ER - TY - JOUR A1 - Butenweg, Christoph A1 - Bursi, Oreste S. A1 - Paolacci, Fabrizio A1 - Marinković, Marko A1 - Lanese, Igor A1 - Nardin, Chiara A1 - Quinci, Gianluca ED - Yang, J. T1 - Seismic performance of an industrial multi-storey frame structure with process equipment subjected to shake table testing JF - Engineering Structures N2 - 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. KW - Multi-storey KW - Frame structure KW - Earthquake KW - Tank KW - Piping Y1 - 2021 U6 - https://doi.org/10.1016/j.engstruct.2021.112681 SN - 0141-0296 VL - 243 IS - 15 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Gaigall, Daniel T1 - Test for Changes in the Modeled Solvency Capital Requirement of an Internal Risk Model JF - ASTIN Bulletin N2 - 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. KW - Bootstrap KW - Empirical process KW - Functional Delta Method KW - Hadamard differentiability KW - Paired sample Y1 - 2021 U6 - https://doi.org/10.1017/asb.2021.20 SN - 1783-1350 VL - 51 IS - 3 SP - 813 EP - 837 PB - Cambridge Univ. Press CY - Cambridge ER - TY - JOUR A1 - Burger, René A1 - Rumpf, Jessica A1 - Do, Xuan Tung A1 - Monakhova, Yulia A1 - Diehl, Bernd W. K. A1 - Rehahn, Matthias A1 - Schulze, Margit T1 - Is NMR combined with multivariate regression applicable for the molecular weight determination of randomly cross-linked polymers such as lignin? JF - ACS Omega N2 - 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. Y1 - 2021 U6 - https://doi.org/10.1021/acsomega.1c03574 SN - 2470-1343 VL - 6 IS - 44 SP - 29516 EP - 29524 PB - ACS Publications CY - Washington, DC ER - TY - JOUR A1 - Monakhova, Yulia A1 - Diehl, Bernd W. K. T1 - Simplification of NMR Workflows by Standardization Using 2H Integral of Deuterated Solvent as Applied to Aloe vera Preparations JF - Applied Magnetic Resonance N2 - 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.). Y1 - 2021 U6 - https://doi.org/10.1007/s00723-021-01393-4 SN - 1613-7507 VL - 52 IS - 11 SP - 1591 EP - 1600 PB - Springer CY - Cham ER - TY - JOUR A1 - Burmistrova, Natalia A. A1 - Soboleva, Polina M. A1 - Monakhova, Yulia T1 - Is infrared spectroscopy combined with multivariate analysis a promising tool for heparin authentication? JF - Journal of Pharmaceutical and Biomedical Analysis N2 - 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. KW - IR spectroscopy KW - Heparin KW - Authenticity KW - Principal component analysis KW - Soft independent modeling of class analogy Y1 - 2021 SN - 0731-7085 U6 - https://doi.org/10.1016/j.jpba.2020.113811 VL - 194 IS - Article number: 113811 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Monakhova, Yulia A1 - Diehl, Bernd W.K. T1 - Novel approach of qNMR workflow by standardization using 2H integral: Application to any intrinsic calibration standard JF - Talanta N2 - 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.). KW - qNMR KW - Deuterium NMR KW - Deuterated solvents KW - Standardization Y1 - 2021 SN - 0039-9140 U6 - https://doi.org/10.1016/j.talanta.2020.121504 VL - 222 IS - Article number: 121504 PB - Elsevier ER - TY - JOUR A1 - Richter, Charlotte A1 - Braunstein, Bjoern A1 - Staeudle, Benjamin A1 - Attias, Julia A1 - Suess, Alexander A1 - Weber, Tobias A1 - Mileva, Katya N. A1 - Rittweger, Joern A1 - Green, David A. A1 - Albracht, Kirsten T1 - Contractile behavior of the gastrocnemius medialis muscle during running in simulated hypogravity JF - npj Microgravity N2 - 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. Y1 - 2021 U6 - https://doi.org/10.1038/s41526-021-00155-7 SN - 2373-8065 N1 - Corresponding author: Charlotte Richter VL - 7 IS - Article number: 32 PB - Springer Nature CY - New York ER -