@article{KindmannKrausLaumannetal.2022, author = {Kindmann, Rolf and Kraus, Matthias and Laumann, J{\"o}rg and Vette, Jan}, title = {Verallgemeinerte Berechnungsmethode f{\"u}r in Beton eingespannte Stahlprofile - Einspanntiefen, Tragf{\"a}higkeitsnachweise und Bemessungshilfen}, series = {Stahlbau}, volume = {93}, journal = {Stahlbau}, number = {Early View}, publisher = {Ernst \& Sohn GmbH}, address = {Berlin}, issn = {1437-1049}, doi = {10.1002/stab.202200024}, pages = {1 -- 25}, year = {2022}, abstract = {St{\"u}tzen und Tr{\"a}ger aus Stahlprofilen k{\"o}nnen in Fundamente oder W{\"a}nde aus Stahlbeton einbetoniert werden. Diese Anschl{\"u}sse wirken in der Regel wie Einspannungen, die eine ausreichende Einspanntiefe erfordern. Im Folgenden wird eine verallgemeinerte Berechnungsmethode f{\"u}r in Stahlbetonkonstruktionen eingespannte Stahlprofile aus gewalzten I-Profilen, geschweißten I-Profilen, runden Hohlprofilen, eckigen Hohlprofilen und einzelligen Kastenquerschnitten vorgestellt. F{\"u}r Beanspruchungen infolge einachsiger Biegung um die starke und schwache Profilachse werden der profilabh{\"a}ngige Ansatz der Betondruckspannungen im Einspannbereich und die Ermittlung der Einspanntiefe behandelt. Unter Ber{\"u}cksichtigung der Normalkraft werden an den maßgebenden Stellen Tragf{\"a}higkeitsnachweise f{\"u}r die Stahlprofile gef{\"u}hrt. Als Erg{\"a}nzung zu den Berechnungsformeln werden Bemessungshilfen zur Verf{\"u}gung gestellt, die die Wahl der mitwirkenden Breiten und der Einspanntiefen erleichtert.}, language = {de} } @article{EmigHebelSchwark2022, author = {Emig, J. and Hebel, Christoph and Schwark, A.}, title = {Einsatzbereiche f{\"u}r Verkehrsnachfragemodelle}, series = {Straßenverkehrstechnik}, volume = {66}, journal = {Straßenverkehrstechnik}, number = {10}, publisher = {Kirschbaum Verlag GmbH}, address = {Bonn}, issn = {0039-2219}, doi = {10.53184/SVT10-2022-2}, pages = {727 -- 736}, year = {2022}, abstract = {In der Praxis bestehen vielf{\"a}ltige Einsatzbereiche f{\"u}r Verkehrsnachfragemodelle. Mit ihnen k{\"o}nnen Kenngr{\"o}ßen des Verkehrsangebots und der Verkehrsnachfrage f{\"u}r den heutigen Zustand wie auch f{\"u}r zuk{\"u}nftige Zust{\"a}nde bereitgestellt werden, um so die Grundlagen f{\"u}r verkehrsplanerische Entscheidungen zu liefern. Die neuen „Empfehlungen zum Einsatz von Verkehrsnachfragemodellen f{\"u}r den Personenverkehr" (EVNM-PV) (FGSV 2022) veranschaulichen anhand von typischen Planungsaufgaben, welche differenzierten Anforderungen daraus f{\"u}r 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 f{\"u}r die konkrete inhaltliche, fachliche Ausgestaltung des Verkehrsmodells.}, language = {de} } @article{HahnHebelManz2022, author = {Hahn, Geogr W. and Hebel, Christoph and Manz, W.}, title = {Die neuen Empfehlungen f{\"u}r Verkehrsnachfragemodellierung im Personenverkehr}, series = {Straßenverkehrstechnik}, volume = {66}, journal = {Straßenverkehrstechnik}, number = {10}, publisher = {Kirschbaum Verlag GmbH}, address = {Bonn}, issn = {0039-2219}, doi = {10.53184/SVT10-2022-1}, pages = {721 -- 726}, year = {2022}, abstract = {Die neu erschienenen „Empfehlungen zum Einsatz von Verkehrsnachfragemodellen f{\"u}r den Personenverkehr" liefern erstmals als Empfehlungspapier der Forschungsgesellschaft f{\"u}r Straßen- und Verkehrswesen einen umfassenden {\"U}berblick zu den verschiedenen Aspekten der Modellierung und geben dem Fachplaner konkrete Hilfestellung f{\"u}r die Konzeption von Nachfragemodellen. Das Empfehlungspapier zielt unter anderem darauf ab, die Erwartungen und das Anspruchsniveau in Hinblick auf Sachgerechtigkeit der Modelle, die erzielbare Modellqualit{\"a}t und den Detaillierungsgrad der Modellaussagen zu harmonisieren.}, language = {de} } @article{MonakhovaSobolevaFedotovaetal.2022, author = {Monakhova, Yulia and Soboleva, Polina M. and Fedotova, Elena S. and Musina, Kristina T. and Burmistrova, Natalia A.}, title = {Quantum chemical calculations of IR spectra of heparin disaccharide subunits}, series = {Computational and Theoretical Chemistry}, volume = {1217}, journal = {Computational and Theoretical Chemistry}, number = {Article number: 113891}, publisher = {Elsevier}, address = {New York, NY}, isbn = {2210-271X}, doi = {10.1016/j.comptc.2022.113891}, year = {2022}, abstract = {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.}, language = {en} } @article{BurgerLindnerRumpfetal.2022, author = {Burger, Ren{\´e} and Lindner, Simon and Rumpf, Jessica and Do, Xuan Tung and Diehl, Bernd W.K. and Rehahn, Matthias and Monakhova, Yulia and Schulze, Margit}, title = {Benchtop versus high field NMR: Comparable performance found for the molecular weight determination of lignin}, series = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {212}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, number = {Article number: 114649}, publisher = {Elsevier}, address = {New York, NY}, isbn = {0731-7085}, doi = {10.1016/j.jpba.2022.114649}, year = {2022}, abstract = {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.}, language = {en} } @article{MonakhovaDiehl2022, author = {Monakhova, Yulia and Diehl, Bernd W.K.}, title = {Multinuclear NMR screening of pharmaceuticals using standardization by 2H integral of a deuterated solvent}, series = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {209}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, number = {Article number: 114530}, publisher = {Elsevier}, isbn = {0731-7085}, doi = {10.1016/j.jpba.2021.114530}, year = {2022}, abstract = {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.}, 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{EggertKreuzer2022, author = {Eggert, Mathias and Kreuzer, Vincent}, title = {Sprachsteuerung im Gesundheitswesen - Anforderungen und Auswahl geeigneter Anbieter}, series = {HMD Praxis der Wirtschaftsinformatik}, volume = {59}, journal = {HMD Praxis der Wirtschaftsinformatik}, publisher = {Springer Vieweg}, address = {Wiesbaden}, isbn = {2198-2775}, issn = {1436-3011}, doi = {10.1365/s40702-022-00919-z}, pages = {1640 -- 1652}, year = {2022}, abstract = {Das Gesundheitswesen ist konfrontiert mit steigenden Kosten und einer immer schwieriger werdenden Personalsituation. Zeitgleich versprechen moderne Sprachsteuerungssysteme Prozesse in Arztpraxen und Krankenh{\"a}usern zu verschlanken und Vorg{\"a}nge zu beschleunigen. Dennoch wird derzeit der Einsatz von Sprachsteuerungssystemen in Arztpraxen oder Krankenh{\"a}usern nur selten beobachtet, was auch an den besonders strengen Datenschutzauflagen der Datenschutzgrundverordnung (DSGVO) liegt. Dar{\"u}ber hinaus wirft die niedrige Nutzungsrate die Frage nach den konkreten Anforderungen und ihrer Umsetzbarkeit auf, was durch den vorliegenden Beitrag adressiert wird, indem die Ergebnisse von Interviews mit acht medizinischen Fachexperten ausgewertet werden. Erg{\"a}nzend wird die technische Umsetzbarkeit einzelner Anforderungen mit unterschiedlichen Cloud-Anbietern erprobt.}, language = {de} } @article{SchuellerRuhlDinstuehlerSengeretal.2022, author = {Sch{\"u}ller-Ruhl, Aaron and Dinst{\"u}hler, Leonard and Senger, Thorsten and Bergfeld, Stefan and Ingenhag, Christian and Fleischhaker, Robert}, title = {Direct fabrication of arbitrary phase masks in optical glass via ultra-short pulsed laser writing of refractive index modifications}, series = {Applied Physics B}, volume = {128}, journal = {Applied Physics B}, number = {Article number: 208}, editor = {Mackenzie, Jacob}, publisher = {Springer}, address = {Berlin}, issn = {1432-0649 (Online)}, doi = {10.1007/s00340-022-07928-2}, pages = {1 -- 11}, year = {2022}, abstract = {We study the possibility to fabricate an arbitrary phase mask in a one-step laser-writing process inside the volume of an optical glass substrate. We derive the phase mask from a Gerchberg-Saxton-type algorithm as an array and create each individual phase shift using a refractive index modification of variable axial length. We realize the variable axial length by superimposing refractive index modifications induced by an ultra-short pulsed laser at different focusing depth. Each single modification is created by applying 1000 pulses with 15 μJ pulse energy at 100 kHz to a fixed spot of 25 μm diameter and the focus is then shifted axially in steps of 10 μm. With several proof-of-principle examples, we show the feasibility of our method. In particular, we identify the induced refractive index change to about a value of Δn=1.5⋅10-3. We also determine our current limitations by calculating the overlap in the form of a scalar product and we discuss possible future improvements.}, language = {en} } @article{MolinnusJanusFangetal.2022, author = {Molinnus, Denise and Janus, Kevin Alexander and Fang, Anyelina C. and Drinic, Aleksander and Achtsnicht, Stefan and K{\"o}pf, Marius and Keusgen, Michael and Sch{\"o}ning, Michael Josef}, title = {Thick-film carbon electrode deposited onto a biodegradable fibroin substrate for biosensing applications}, series = {Physica status solidi (a)}, volume = {219}, journal = {Physica status solidi (a)}, number = {23}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1862-6319}, doi = {10.1002/pssa.202200100}, pages = {1 -- 9}, year = {2022}, abstract = {This study addresses a proof-of-concept experiment with a biocompatible screen-printed carbon electrode deposited onto a biocompatible and biodegradable substrate, which is made of fibroin, a protein derived from silk of the Bombyx mori silkworm. To demonstrate the sensor performance, the carbon electrode is functionalized as a glucose biosensor with the enzyme glucose oxidase and encapsulated with a silicone rubber to ensure biocompatibility of the contact wires. The carbon electrode is fabricated by means of thick-film technology including a curing step to solidify the carbon paste. The influence of the curing temperature and curing time on the electrode morphology is analyzed via scanning electron microscopy. The electrochemical characterization of the glucose biosensor is performed by amperometric/voltammetric measurements of different glucose concentrations in phosphate buffer. Herein, systematic studies at applied potentials from 500 to 1200 mV to the carbon working electrode (vs the Ag/AgCl reference electrode) allow to determine the optimal working potential. Additionally, the influence of the curing parameters on the glucose sensitivity is examined over a time period of up to 361 days. The sensor shows a negligible cross-sensitivity toward ascorbic acid, noradrenaline, and adrenaline. The developed biocompatible biosensor is highly promising for future in vivo and epidermal applications.}, language = {en} }