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NMR standardization approach that uses the 2H integral of deuterated solvent for quantitative multinuclear analysis of pharmaceuticals is described. As a proof of principle, the existing NMR procedure for the analysis of heparin products according to US Pharmacopeia monograph is extended to the determination of Na+ and Cl- content in this matrix. Quantification is performed based on the ratio of a 23Na (35Cl) NMR integral and 2H NMR signal of deuterated solvent, D2O, acquired using the specific spectrometer hardware. As an alternative, the possibility of 133Cs standardization using the addition of Cs2CO3 stock solution is shown. Validation characteristics (linearity, repeatability, sensitivity) are evaluated. A holistic NMR profiling of heparin products can now also be used for the quantitative determination of inorganic compounds in a single analytical run using a single sample. In general, the new standardization methodology provides an appealing alternative for the NMR screening of inorganic and organic components in pharmaceutical products.
Lignin is a promising renewable biopolymer being investigated worldwide as an environmentally benign substitute of fossil-based aromatic compounds, e.g. for the use as an excipient with antioxidant and antimicrobial properties in drug delivery or even as active compound. For its successful implementation into process streams, a quick, easy, and reliable method is needed for its molecular weight determination. Here we present a method using 1H spectra of benchtop as well as conventional NMR systems in combination with multivariate data analysis, to determine lignin’s molecular weight (Mw and Mn) and polydispersity index (PDI). A set of 36 organosolv lignin samples (from Miscanthus x giganteus, Paulownia tomentosa and Silphium perfoliatum) was used for the calibration and cross validation, and 17 samples were used as external validation set. Validation errors between 5.6% and 12.9% were achieved for all parameters on all NMR devices (43, 60, 500 and 600 MHz). Surprisingly, no significant difference in the performance of the benchtop and high-field devices was found. This facilitates the application of this method for determining lignin’s molecular weight in an industrial environment because of the low maintenance expenditure, small footprint, ruggedness, and low cost of permanent magnet benchtop NMR systems.
Heparin is a natural polysaccharide, which plays essential role in many biological processes. Alterations in building blocks can modify biological roles of commercial heparin products, due to significant changes in the conformation of the polymer chain. The variability structure of heparin leads to difficulty in quality control using different analytical methods, including infrared (IR) spectroscopy. In this paper molecular modelling of heparin disaccharide subunits was performed using quantum chemistry. The structural and spectral parameters of these disaccharides have been calculated using RHF/6-311G. In addition, over-sulphated chondroitin sulphate disaccharide was studied as one of the most widespread contaminants of heparin. Calculated IR spectra were analyzed with respect to specific structure parameters. IR spectroscopic fingerprint was found to be sensitive to substitution pattern of disaccharide subunits. Vibrational assignments of calculated spectra were correlated with experimental IR spectral bands of native heparin. Chemometrics was used to perform multivariate analysis of simulated spectral data.
When confining pressure is low or absent, extensional fractures are typical, with fractures occurring on unloaded planes in rock. These “paradox” fractures can be explained by a phenomenological extension strain failure criterion. In the past, a simple empirical criterion for fracture initiation in brittle rock has been developed. But this criterion makes unrealistic strength predictions in biaxial compression and tension. A new extension strain criterion overcomes this limitation by adding a weighted principal shear component. The weight is chosen, such that the enriched extension strain criterion represents the same failure surface as the Mohr–Coulomb (MC) criterion. Thus, the MC criterion has been derived as an extension strain criterion predicting failure modes, which are unexpected in the understanding of the failure of cohesive-frictional materials. In progressive damage of rock, the most likely fracture direction is orthogonal to the maximum extension strain. The enriched extension strain criterion is proposed as a threshold surface for crack initiation CI and crack damage CD and as a failure surface at peak P. Examples show that the enriched extension strain criterion predicts much lower volumes of damaged rock mass compared to the simple extension strain criterion.
Purpose
In the determination of the measurement uncertainty, the GUM procedure requires the building of a measurement model that establishes a functional relationship between the measurand and all influencing quantities. Since the effort of modelling as well as quantifying the measurement uncertainties depend on the number of influencing quantities considered, the aim of this study is to determine relevant influencing quantities and to remove irrelevant ones from the dataset.
Design/methodology/approach
In this work, it was investigated whether the effort of modelling for the determination of measurement uncertainty can be reduced by the use of feature selection (FS) methods. For this purpose, 9 different FS methods were tested on 16 artificial test datasets, whose properties (number of data points, number of features, complexity, features with low influence and redundant features) were varied via a design of experiments.
Findings
Based on a success metric, the stability, universality and complexity of the method, two FS methods could be identified that reliably identify relevant and irrelevant influencing quantities for a measurement model.
Originality/value
For the first time, FS methods were applied to datasets with properties of classical measurement processes. The simulation-based results serve as a basis for further research in the field of FS for measurement models. The identified algorithms will be applied to real measurement processes in the future.
The European Union's aim to become climate neutral by 2050 necessitates ambitious efforts to reduce carbon emissions. Large reductions can be attained particularly in energy intensive sectors like iron and steel. In order to prevent the relocation of such industries outside the EU in the course of tightening environmental regulations, the establishment of a climate club jointly with other large emitters and alternatively the unilateral implementation of an international cross-border carbon tax mechanism are proposed. This article focuses on the latter option choosing the steel sector as an example. In particular, we investigate the financial conditions under which a European cross border mechanism is capable to protect hydrogen-based steel production routes employed in Europe against more polluting competition from abroad. By using a floor price model, we assess the competitiveness of different steel production routes in selected countries. We evaluate the climate friendliness of steel production on the basis of specific GHG emissions. In addition, we utilize an input-output price model. It enables us to assess impacts of rising cost of steel production on commodities using steel as intermediates. Our results raise concerns that a cross-border tax mechanism will not suffice to bring about competitiveness of hydrogen-based steel production in Europe because the cost tends to remain higher than the cost of steel production in e.g. China. Steel is a classic example for a good used mainly as intermediate for other products. Therefore, a cross-border tax mechanism for steel will increase the price of products produced in the EU that require steel as an input. This can in turn adversely affect competitiveness of these sectors. Hence, the effects of higher steel costs on European exports should be borne in mind and could require the cross-border adjustment mechanism to also subsidize exports.
Die neu erschienenen „Empfehlungen zum Einsatz von Verkehrsnachfragemodellen für den Personenverkehr“ liefern erstmals als Empfehlungspapier der Forschungsgesellschaft für Straßen- und Verkehrswesen einen umfassenden Überblick zu den verschiedenen Aspekten der Modellierung und geben dem Fachplaner konkrete Hilfestellung für die Konzeption von Nachfragemodellen. Das Empfehlungspapier zielt unter anderem darauf ab, die Erwartungen und das Anspruchsniveau in Hinblick auf Sachgerechtigkeit der Modelle, die erzielbare Modellqualität und den Detaillierungsgrad der Modellaussagen zu harmonisieren.
In der Praxis bestehen vielfältige Einsatzbereiche für Verkehrsnachfragemodelle. Mit ihnen können Kenngrößen des Verkehrsangebots und der Verkehrsnachfrage für den heutigen Zustand wie auch für zukünftige Zustände bereitgestellt werden, um so die Grundlagen für verkehrsplanerische Entscheidungen zu liefern. Die neuen „Empfehlungen zum Einsatz von Verkehrsnachfragemodellen für den Personenverkehr“ (EVNM-PV) (FGSV 2022) veranschaulichen anhand von typischen Planungsaufgaben, welche differenzierten Anforderungen daraus für die Modellkonzeption und -erstellung resultieren. Vor dem Hintergrund der konkreten Aufgabenstellung sowie deren spezifischer planerischer Anforderungen bildet die abzuleitende Modellspezifikation die verabredete Grundlage zwischen Auftraggeber und Modellersteller für die konkrete inhaltliche, fachliche Ausgestaltung des Verkehrsmodells.
Stützen und Träger aus Stahlprofilen können in Fundamente oder Wände aus Stahlbeton einbetoniert werden. Diese Anschlüsse wirken in der Regel wie Einspannungen, die eine ausreichende Einspanntiefe erfordern. Im Folgenden wird eine verallgemeinerte Berechnungsmethode für in Stahlbetonkonstruktionen eingespannte Stahlprofile aus gewalzten I-Profilen, geschweißten I-Profilen, runden Hohlprofilen, eckigen Hohlprofilen und einzelligen Kastenquerschnitten vorgestellt. Für Beanspruchungen infolge einachsiger Biegung um die starke und schwache Profilachse werden der profilabhängige Ansatz der Betondruckspannungen im Einspannbereich und die Ermittlung der Einspanntiefe behandelt. Unter Berücksichtigung der Normalkraft werden an den maßgebenden Stellen Tragfähigkeitsnachweise für die Stahlprofile geführt. Als Ergänzung zu den Berechnungsformeln werden Bemessungshilfen zur Verfügung gestellt, die die Wahl der mitwirkenden Breiten und der Einspanntiefen erleichtert.
Die Theorie und Konstruktion der wichtigsten Bereiche der Stahlbautechnik werden von den Grundlagen her entwickelt und durch viele Beispiele praxisbezogen erläutert. Das Buch ist aus Vorlesungen im Grund- und Vertiefungsstudium des Bauingenieurwesens entstanden. Der Inhalt wird zum Teil systematisch, zum Teil exemplarisch dargestellt.
Für Konstrukteure und Statiker in den technischen Büros, der Beratenden Ingenieure und der Prüfämter enthält das Buch aufbereitete Berechnungsverfahren und Konstruktionsvorschläge in großer Zahl.
Dieser Beitrag stellt einen Bewertungsrahmen für Smart Services vor, der auf dem Konzept vollständiger Finanzpläne (VOFI) basiert. Zunächst wird eine IoT-Architektur für Smart Services eingeführt, die die Grundlage für deren Betrachtung aus Sicht der Unternehmensplanung liefert. Hierauf aufbauend wird ein Bewertungsrahmen für die finanzplanorientierte Wirtschaftlichkeitsbewertung von Smart Services geschaffen, mit dem die relevanten Zahlungsfolgen differenziert erfasst werden. Mithilfe des entwickelten VOFI-Systems wird anschließend aufgezeigt, wie mithilfe einer Risikoanalyse die Unsicherheit von Modellparametern berücksichtigt werden kann.
FEM shakedown analysis of structures under random strength with chance constrained programming
(2022)
Direct methods, comprising limit and shakedown analysis, are a branch of computational mechanics. They play a significant role in mechanical and civil engineering design. The concept of direct methods aims to determine the ultimate load carrying capacity of structures beyond the elastic range. In practical problems, the direct methods lead to nonlinear convex optimization problems with a large number of variables and constraints. If strength and loading are random quantities, the shakedown analysis can be formulated as stochastic programming problem. In this paper, a method called chance constrained programming is presented, which is an effective method of stochastic programming to solve shakedown analysis problems under random conditions of strength. In this study, the loading is deterministic, and the strength is a normally or lognormally distributed variable.
On the basis of bivariate data, assumed to be observations of independent copies of a random vector (S,N), we consider testing the hypothesis that the distribution of (S,N) belongs to the parametric class of distributions that arise with the compound Poisson exponential model. Typically, this model is used in stochastic hydrology, with N as the number of raindays, and S as total rainfall amount during a certain time period, or in actuarial science, with N as the number of losses, and S as total loss expenditure during a certain time period. The compound Poisson exponential model is characterized in the way that a specific transform associated with the distribution of (S,N) satisfies a certain differential equation. Mimicking the function part of this equation by substituting the empirical counterparts of the transform we obtain an expression the weighted integral of the square of which is used as test statistic. We deal with two variants of the latter, one of which being invariant under scale transformations of the S-part by fixed positive constants. Critical values are obtained by using a parametric bootstrap procedure. The asymptotic behavior of the tests is discussed. A simulation study demonstrates the performance of the tests in the finite sample case. The procedure is applied to rainfall data and to an actuarial dataset. A multivariate extension is also discussed.
The fourth industrial revolution presents a multitude of challenges for industries, one of which being the increased flexibility required of manufacturing lines as a result of increased consumer demand for individualised products. One solution to tackle this challenge is the digital twin, more specifically the standardised model of a digital twin also known as the asset administration shell. The standardisation of an industry wide communications tool is a critical step in enabling inter-company operations. This paper discusses the current state of asset administration shells, the frameworks used to host them and their problems that need to be addressed. To tackle these issues, we propose an event-based server capable of drastically reducing response times between assets and asset administration shells and a multi-agent system used for the orchestration and deployment of the shells in the field.
Dieser Beitrag beschreibt die herkömmlichen Maßnahmen wie die Kapazitätsbemessung der Tragwerksstruktur, die Isolation des Bauwerks mittels Basisisolatoren, die Dämpfungserhöhung der Struktur mittels Inter-Story-Dämpfern und die Schwingungsreduktion mittels Schwingungstilgern gegen Einwirkungen durch Erdbeben, Wind, Verkehr und Personen auf die Bauwerke. Ergänzend wird die erdbebengerechte Auslegung und Isolation von nichttragenden Bauteilen behandelt. Für die betrachteten Systeme werden die Bewegungsdifferenzialgleichungen unter Berücksichtigung der wesentlichen Nichtlinearitäten angegeben. Die vorgestellten Weiterentwicklungen in den Bereichen der Basisisolatoren, Dämpfern und Schwingungstilgern zeigen, dass das modellbasierte Design mittels Simulation ein sehr effektives, ökonomisches und dank der heutigen Computerleistung auch zeiteffizientes Werkzeug darstellt.
The work presented in this report provides scientific support to building renovation policies in the EU by promoting a holistic point of view on the topic. Integrated renovation can be seen as a nexus between European policies on disaster resilience, energy efficiency and circularity in the building sector. An overview of policy measures for the seismic and energy upgrading of buildings across EU Member States identified only a few available measures for combined upgrading. Regulatory framework, financial instruments and digital tools similar to those for energy renovation, together with awareness and training may promote integrated renovation. A framework for regional prioritisation of building renovation was put forward, considering seismic risk, energy efficiency, and socioeconomic vulnerability independently and in an integrated way. Results indicate that prioritisation of building renovation is a multidimensional problem. Depending on priorities, different integrated indicators should be used to inform policies and accomplish the highest relative or most spread impact across different sectors. The framework was further extended to assess the impact of renovation scenarios across the EU with a focus on priority regions. Integrated renovation can provide a risk-proofed, sustainable, and inclusive built environment, presenting an economic benefit in the order of magnitude of the highest benefit among the separate interventions. Furthermore, it presents the unique capability of reducing fatalities and energy consumption at the same time and, depending on the scenario, to a greater extent.
Industrial facilities must be thoroughly designed to withstand seismic actions as they exhibit an increased loss potential due to the possibly wideranging damage consequences and the valuable process engineering equipment. Past earthquakes showed the social and political consequences of seismic damage to industrial facilities and sensitized the population and politicians worldwide for the possible hazard emanating from industrial facilities. However, a holistic approach for the seismic design of industrial facilities can presently neither be found in national nor in international standards. The introduction of EN 1998-4 of the new generation of Eurocode 8 will improve the normative situation with
specific seismic design rules for silos, tanks and pipelines and secondary process components. The article presents essential aspects of the seismic design of industrial facilities based on the new generation of Eurocode 8 using the example of tank structures and secondary process components. The interaction effects of the process components with the primary structure are illustrated by means of the experimental results of a shaking table test of a three story moment resisting steel frame with different process components. Finally, an integrated approach of
digital plant models based on building information modelling (BIM) and structural health monitoring (SHM) is presented, which provides not only a reliable decision-making basis for operation, maintenance and repair but also an excellent tool for rapid assessment of seismic damage.