@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     = {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{TemizArtmannKurulgandemirciFıratetal.2021,
  author    = {Temiz Artmann, Ayseg{\"u}l and Kurulgan demirci, Eylem and F{\i}rat, Ipek Seda and Oflaz, Hakan and Artmann, Gerhard},
  title     = {Recombinant activated protein C (rhAPC) affects lipopolysaccharide-induced mechanical compliance changes and beat frequency of mESC-derived cardiomyocyte monolayers},
  series = {SHOCK},
  journal   = {SHOCK},
  publisher = {Wolters Kluwer},
  address   = {K{\"o}ln},
  issn      = {1540-0514},
  doi       = {10.1097/SHK.0000000000001845},
  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}
}