@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{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{TranStaat2021, author = {Tran, Ngoc Trinh and Staat, Manfred}, title = {Direct plastic structural design under random strength and random load by chance constrained programming}, series = {European Journal of Mechanics - A/Solids}, volume = {85}, journal = {European Journal of Mechanics - A/Solids}, number = {Article 104106}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0997-7538}, doi = {10.1016/j.euromechsol.2020.104106}, year = {2021}, language = {en} } @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{HunkerGossmannRamanetal.2021, author = {Hunker, Jan L. and Gossmann, Matthias and Raman, Aravind Hariharan and Linder, Peter}, title = {Artificial neural networks in cardiac safety assessment: Classification of chemotherapeutic compound effects on hiPSC-derived cardiomyocyte contractility}, series = {Journal of Pharmacological and Toxicological Methods}, volume = {111}, journal = {Journal of Pharmacological and Toxicological Methods}, number = {Article number 107044}, publisher = {Elsevier}, address = {New York}, issn = {1056-8719}, doi = {10.1016/j.vascn.2021.107044}, year = {2021}, language = {en} } @article{HeiligersSchoutetensDachwald2021, author = {Heiligers, Jeannette and Schoutetens, Frederic and Dachwald, Bernd}, title = {Photon-sail equilibria in the alpha centauri system}, series = {Journal of Guidance, Control, and Dynamics}, volume = {44}, journal = {Journal of Guidance, Control, and Dynamics}, number = {5}, issn = {1533-3884}, doi = {10.2514/1.G005446}, pages = {1053 -- 1061}, year = {2021}, language = {en} } @article{GermanMikuckiWelchetal.2021, author = {German, Laura and Mikucki, Jill A. and Welch, Susan A. and Welch, Kathleen A. and Lutton, Anthony and Dachwald, Bernd and Kowalski, Julia and Heinen, Dirk and Feldmann, Marco and Francke, Gero and Espe, Clemens and Lyons, W. Berry}, title = {Validation of sampling antarctic subglacial hypersaline waters with an electrothermal ice melting probe (IceMole) for environmental analytical geochemistry}, series = {International Journal of Environmental Analytical Chemistry}, volume = {101}, journal = {International Journal of Environmental Analytical Chemistry}, number = {15}, publisher = {Taylor \& Francis}, address = {London}, issn = {0306-7319}, doi = {10.1080/03067319.2019.1704750}, pages = {2654 -- 2667}, year = {2021}, abstract = {Geochemical characterisation of hypersaline waters is difficult as high concentrations of salts hinder the analysis of constituents at low concentrations, such as trace metals, and the collection of samples for trace metal analysis in natural waters can be easily contaminated. This is particularly the case if samples are collected by non-conventional techniques such as those required for aquatic subglacial environments. In this paper we present the first analysis of a subglacial brine from Taylor Valley, (~ 78°S), Antarctica for the trace metals: Ba, Co, Mo, Rb, Sr, V, and U. Samples were collected englacially using an electrothermal melting probe called the IceMole. This probe uses differential heating of a copper head as well as the probe's sidewalls and an ice screw at the melting head to move through glacier ice. Detailed blanks, meltwater, and subglacial brine samples were collected to evaluate the impact of the IceMole and the borehole pump, the melting and collection process, filtration, and storage on the geochemistry of the samples collected by this device. Comparisons between melt water profiles through the glacier ice and blank analysis, with published studies on ice geochemistry, suggest the potential for minor contributions of some species Rb, As, Co, Mn, Ni, NH4+, and NO2-+NO3- from the IceMole. The ability to conduct detailed chemical analyses of subglacial fluids collected with melting probes is critical for the future exploration of the hundreds of deep subglacial lakes in Antarctica.}, language = {en} } @article{SpietzSproewitzSeefeldtetal.2021, author = {Spietz, Peter and Spr{\"o}witz, Tom and Seefeldt, Patric and Grundmann, Jan Thimo and Jahnke, Rico and Mikschl, Tobias and Mikulz, Eugen and Montenegro, Sergio and Reershemius, Siebo and Renger, Thomas and Ruffer, Michael and Sasaki, Kaname and Sznajder, Maciej and T{\´o}th, Norbert and Ceriotti, Matteo and Dachwald, Bernd and Macdonald, Malcolm and McInnes, Colin and Seboldt, Wolfgang and Quantius, Dominik and Bauer, Waldemar and Wiedemann, Carsten and Grimm, Christian D. and Hercik, David and Ho, Tra-Mi and Lange, Caroline and Schmitz, Nicole}, title = {Paths not taken - The Gossamer roadmap's other options}, 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.2021.01.044}, pages = {2912 -- 2956}, year = {2021}, language = {en} } @article{HeinkeKnickerAlbracht2021, author = {Heinke, Lars N. and Knicker, Axel J. and Albracht, Kirsten}, title = {Test-retest reliability of the internal shoulder rotator muscles' stretch reflex in healthy men}, series = {Journal of Electromyography and Kinesiology}, volume = {62}, journal = {Journal of Electromyography and Kinesiology}, number = {Article 102611}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1050-6411}, doi = {10.1016/j.jelekin.2021.102611}, year = {2021}, abstract = {Until now the reproducibility of the short latency stretch reflex of the internal rotator muscles of the glenohumeral joint has not been identified. Twenty-three healthy male participants performed three sets of external shoulder rotation stretches with various pre-activation levels on two different dates of measurement to assess test-retest reliability. All stretches were applied with a dynamometer acceleration of 104°/s2 and a velocity of 150°/s. Electromyographical response was measured via surface EMG. Reflex latencies showed a pre-activation effect (ƞ2 = 0,355). ICC ranged from 0,735 to 0,909 indicating an overall "good" relative reliability. SRD 95\% lay between ±7,0 to ±12,3 ms.. The reflex gain showed overall poor test-retest reproducibility. The chosen methodological approach presented a suitable test protocol for shoulder muscles stretch reflex latency evaluation. A proof-of-concept study to validate the presented methodical approach in shoulder involvement including subjects with clinically relevant conditions is recommended.}, language = {en} } @article{KezerashviliDachwald2021, author = {Kezerashvili, Roman Ya and Dachwald, Bernd}, title = {Preface: Solar sailing: Concepts, technology, and missions II}, 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.2021.01.037}, pages = {2559 -- 2560}, year = {2021}, language = {en} }