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 - http://dx.doi.org/10.1016/j.talanta.2020.121504 VL - 222 IS - Article number: 121504 PB - Elsevier 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 - http://dx.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 - 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 - http://dx.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 - 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 - http://dx.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 - Akimbekov, Nuraly A1 - Digel, Ilya A1 - Abdieva, Gulzhamal A1 - Ualieva, Perizat A1 - Tastambek, Kuanysh T1 - Lignite biosolubilization and bioconversion by Bacillus sp.: the collation of analytical data JF - Biofuels N2 - The vast metabolic potential of microbes in brown coal (lignite) processing and utilization can greatly contribute to innovative approaches to sustainable production of high-value products from coal. In this study, the multi-faceted and complex coal biosolubilization process by Bacillus sp. RKB 7 isolate from the Kazakhstan coal-mining soil is reported, and the derived products are characterized. Lignite solubilization tests performed for surface and suspension cultures testify to the formation of numerous soluble lignite-derived substances. Almost 24% of crude lignite (5% w/v) was solubilized within 14 days under slightly alkaline conditions (pH 8.2). FTIR analysis revealed various functional groups in the obtained biosolubilization products. Analyses of the lignite-derived humic products by UV-Vis and fluorescence spectrometry as well as elemental analysis yielded compatible results indicating the emerging products had a lower molecular weight and degree of aromaticity. Furthermore, XRD and SEM analyses were used to evaluate the biosolubilization processes from mineralogical and microscopic points of view. The findings not only contribute to a deeper understanding of microbe–mineral interactions in coal environments, but also contribute to knowledge of coal biosolubilization and bioconversion with regard to sustainable production of humic substances. The detailed and comprehensive analyses demonstrate the huge biotechnological potential of Bacillus sp. for agricultural productivity and environmental health. KW - humic acid KW - Bacillus sp KW - lignite KW - Biosolubilization Y1 - 2021 SN - 1759-7277 VL - 12 IS - 3 SP - 247 EP - 258 PB - Taylor & Francis CY - London ER - TY - JOUR A1 - Köhler, Klemens A1 - Röpke, René A1 - Wolf, Martin T1 - Through a mirror darkly – On the obscurity of teaching goals in game-based learning in IT security JF - ISAGA 2019: Simulation Gaming Through Times and Disciplines N2 - Teachers and instructors use very specific language communicating teaching goals. The most widely used frameworks of common reference are the Bloom’s Taxonomy and the Revised Bloom’s Taxonomy. The latter provides distinction of 209 different teaching goals which are connected to methods. In Competence Developing Games (CDGs - serious games to convey knowledge) and in IT security education, a two- or three level typology exists, reducing possible learning outcomes to awareness, training, and education. This study explores whether this much simpler framework succeeds in achieving the same range of learning outcomes. Method wise a keyword analysis was conducted. The results were threefold: 1. The words used to describe teaching goals in CDGs on IT security education do not reflect the whole range of learning outcomes. 2. The word choice is nevertheless different from common language, indicating an intentional use of language. 3. IT security CDGs use different sets of terms to describe learning outcomes, depending on whether they are awareness, training, or education games. The interpretation of the findings is that the reduction to just three types of CDGs reduces the capacity to communicate and think about learning outcomes and consequently reduces the outcomes that are intentionally achieved. KW - IT security education KW - Competence Developing Games KW - Game-based learning KW - Keyword analysis KW - Bloom’s Taxonomy Y1 - 2021 U6 - http://dx.doi.org/10.1007/978-3-030-72132-9_6 N1 - ISAGA 2019 - International Simulation and Gaming Association Conference. 26-30 August 2019. Warsaw, Poland. Part of the Lecture Notes in Computer Science book series (LNCS, volume 11988) SP - 61 EP - 73 PB - Springer CY - Cham ER - TY - JOUR A1 - Molinnus, Denise A1 - Drinic, Aleksander A1 - Iken, Heiko A1 - Kröger, Nadja A1 - Zinser, Max A1 - Smeets, Ralf A1 - Köpf, Marius A1 - Kopp, Alexander A1 - Schöning, Michael Josef T1 - Towards a flexible electrochemical biosensor fabricated from biocompatible Bombyx mori silk JF - Biosensors and Bioelectronics Y1 - 2021 U6 - http://dx.doi.org/10.1016/j.bios.2021.113204 SN - 0956-5663 VL - 183 IS - Art. 113204 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Maurischat, Andreas T1 - Algebraic independence of the Carlitz period and its hyperderivatives KW - Drinfeld modules KW - t-modules KW - Transcendence KW - Hyperdifferentials Y1 - 2021 N1 - Zweitveröffentlichung. Verlagsveröffentlichung: https://doi.org/10.1016/j.jnt.2022.01.006 SP - 1 EP - 12 ER - TY - JOUR A1 - Wert, Stefan A1 - Iken, Heiko A1 - Schöning, Michael Josef A1 - Matysik, Frank-Michael T1 - Development of a temperature‐pulse enhanced electrochemical glucose biosensor and characterization of its stability via scanning electrochemical microscopy JF - Electroanalysis N2 - Glucose oxidase (GOx) is an enzyme frequently used in glucose biosensors. As increased temperatures can enhance the performance of electrochemical sensors, we investigated the impact of temperature pulses on GOx that was drop-coated on flattened Pt microwires. The wires were heated by an alternating current. The sensitivity towards glucose and the temperature stability of GOx was investigated by amperometry. An up to 22-fold increase of sensitivity was observed. Spatially resolved enzyme activity changes were investigated via scanning electrochemical microscopy. The application of short (<100 ms) heat pulses was associated with less thermal inactivation of the immobilized GOx than long-term heating. Y1 - 2021 U6 - http://dx.doi.org/10.1002/elan.202100089 SN - 1521-4109 IS - Early View PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Lowis, Carsten A1 - Ferguson, Simon A1 - Paulßen, Elisabeth A1 - Hoehr, Cornelia T1 - Improved Sc-44 production in a siphon-style liquid target on a medical cyclotron JF - Applied Radiation and Isotopes Y1 - 2021 U6 - http://dx.doi.org/10.1016/j.apradiso.2021.109675 SN - 0969-8043 VL - 172 IS - Art. 109675 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Waldvogel, Janice A1 - Ritzmann, Ramona A1 - Freyler, Kathrin A1 - Helm, Michael A1 - Monti, Elena A1 - Albracht, Kirsten A1 - Stäudle, Benjamin A1 - Gollhofer, Albert A1 - Narici, Marco T1 - The Anticipation of Gravity in Human Ballistic Movement JF - Frontiers in Physiology N2 - Stretch-shortening type actions are characterized by lengthening of the pre-activated muscle-tendon unit (MTU) in the eccentric phase immediately followed by muscle shortening. Under 1 g, pre-activity before and muscle activity after ground contact, scale muscle stiffness, which is crucial for the recoil properties of the MTU in the subsequent push-off. This study aimed to examine the neuro-mechanical coupling of the stretch-shortening cycle in response to gravity levels ranging from 0.1 to 2 g. During parabolic flights, 17 subjects performed drop jumps while electromyography (EMG) of the lower limb muscles was combined with ultrasound images of the gastrocnemius medialis, 2D kinematics and kinetics to depict changes in energy management and performance. Neuro-mechanical coupling in 1 g was characterized by high magnitudes of pre-activity and eccentric muscle activity allowing an isometric muscle behavior during ground contact. EMG during pre-activity and the concentric phase systematically increased from 0.1 to 1 g. Below 1 g the EMG in the eccentric phase was diminished, leading to muscle lengthening and reduced MTU stretches. Kinetic energy at take-off and performance were decreased compared to 1 g. Above 1 g, reduced EMG in the eccentric phase was accompanied by large MTU and muscle stretch, increased joint flexion amplitudes, energy loss and reduced performance. The energy outcome function established by linear mixed model reveals that the central nervous system regulates the extensor muscles phase- and load-specifically. In conclusion, neuro-mechanical coupling appears to be optimized in 1 g. Below 1 g, the energy outcome is compromised by reduced muscle stiffness. Above 1 g, loading progressively induces muscle lengthening, thus facilitating energy dissipation. Y1 - 2021 U6 - http://dx.doi.org/10.3389/fphys.2021.614060 SN - 1664-042X PB - Frontiers CY - Lausanne ER - TY - JOUR A1 - Fissabre, Anke T1 - Ein pazifistisches Kriegerdenkmal der Moderne. Das Totenkreuz von Rudolf Schwarz JF - In situ: Zeitschrift für Architekturgeschichte Y1 - 2021 SN - 1866-959X N1 - gedruckt in der Bereichsbibliothek Bayernallee unter der Signatur 13 Z 959 vorhanden IS - 1 SP - 127 EP - 138 PB - Wernersche Verlagsgesellschaft CY - Worms ER - TY - JOUR A1 - Bergs, Michel A1 - Monakhova, Yulia A1 - Diehl, Bernd W. A1 - Konow, Christopher A1 - Völkering, Georg A1 - Pude, Ralf A1 - Schulze, Margit T1 - Lignins isolated via catalyst-free organosolv pulping from Miscanthus x giganteus, M. sinensis, M. robustus and M. nagara: a comparative study JF - Molecules N2 - As a low-input crop, Miscanthus offers numerous advantages that, in addition to agricultural applications, permits its exploitation for energy, fuel, and material production. Depending on the Miscanthus genotype, season, and harvest time as well as plant component (leaf versus stem), correlations between structure and properties of the corresponding isolated lignins differ. Here, a comparative study is presented between lignins isolated from M. x giganteus, M. sinensis, M. robustus and M. nagara using a catalyst-free organosolv pulping process. The lignins from different plant constituents are also compared regarding their similarities and differences regarding monolignol ratio and important linkages. Results showed that the plant genotype has the weakest influence on monolignol content and interunit linkages. In contrast, structural differences are more significant among lignins of different harvest time and/or season. Analyses were performed using fast and simple methods such as nuclear magnetic resonance (NMR) spectroscopy. Data was assigned to four different linkages (A: β-O-4 linkage, B: phenylcoumaran, C: resinol, D: β-unsaturated ester). In conclusion, A content is particularly high in leaf-derived lignins at just under 70% and significantly lower in stem and mixture lignins at around 60% and almost 65%. The second most common linkage pattern is D in all isolated lignins, the proportion of which is also strongly dependent on the crop portion. Both stem and mixture lignins, have a relatively high share of approximately 20% or more (maximum is M. sinensis Sin2 with over 30%). In the leaf-derived lignins, the proportions are significantly lower on average. Stem samples should be chosen if the highest possible lignin content is desired, specifically from the M. x giganteus genotype, which revealed lignin contents up to 27%. Due to the better frost resistance and higher stem stability, M. nagara offers some advantages compared to M. x giganteus. Miscanthus crops are shown to be very attractive lignocellulose feedstock (LCF) for second generation biorefineries and lignin generation in Europe. Y1 - 2021 U6 - http://dx.doi.org/10.3390/molecules26040842 SN - 1420-3049 N1 - Special Issue Lignin – A Natural Resource with Huge Potential https://www.mdpi.com/journal/molecules/special_issues/lignin_natural VL - 26 IS - 4 PB - MDPI CY - Basel ER - TY - JOUR A1 - Hennes, Philipp A1 - Laumann, Jörg T1 - Ansatz der Drehbehinderung aus Koppelpfetten mit dünnwandigen kaltgeformten Z-Profilen JF - Stahlbau Y1 - 2021 U6 - http://dx.doi.org/10.1002/stab.202000104 SN - 1437-1049 VL - 90 IS - 3 SP - 158 EP - 168 PB - Ernst & Sohn CY - Berlin ER - TY - JOUR A1 - Yoshinobu, Tatsuo A1 - Schöning, Michael Josef T1 - Light-addressable potentiometric sensors (LAPS) for cell monitoring and biosensing JF - Current Opinion in Electrochemistry Y1 - 2021 U6 - http://dx.doi.org/10.1016/j.coelec.2021.100727 SN - 2451-9103 IS - In Press, Journal Pre-proof PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Bohndick, Carla A1 - Bosse, Elke A1 - Jänsch, Vanessa K. A1 - Barnat, Miriam T1 - How different diversity factors affect the perception of first-year requirements in higher education JF - Frontline Learning Research N2 - In the light of growing university entry rates, higher education institutions not only serve larger numbers of students, but also seek to meet first-year students’ ever more diverse needs. Yet to inform universities how to support the transition to higher education, research only offers limited insights. Current studies tend to either focus on the individual factors that affect student success or they highlight students’ social background and their educational biography in order to examine the achievement of selected, non-traditional groups of students. Both lines of research appear to lack integration and often fail to take organisational diversity into account, such as different types of higher education institutions or degree programmes. For a more comprehensive understanding of student diversity, the present study includes individual, social and organisational factors. To gain insights into their role for the transition to higher education, we examine how the different factors affect the students’ perception of the formal and informal requirements of the first year as more or less difficult to cope with. As the perceived requirements result from both the characteristics of the students and the institutional context, they allow to investigate transition at the interface of the micro and the meso level of higher education. Latent profile analyses revealed that there are no profiles with complex patterns of perception of the first-year requirements, but the identified groups rather differ in the overall level of perceived challenges. Moreover, SEM indicates that the differences in the perception largely depend on the individual factors self-efficacy and volition. Y1 - 2021 U6 - http://dx.doi.org/10.14786/flr.v9i2.667 SN - 2295-3159 VL - 9 IS - 2 SP - 78 EP - 95 PB - EARLI ER - TY - JOUR A1 - Becht, Alexander A1 - Schollmayer, Curd A1 - Monakhova, Yulia A1 - Holzgrabe, Ulrike T1 - Tracing the origin of paracetamol tablets by near-infrared, mid-infrared, and nuclear magnetic resonance spectroscopy using principal component analysis and linear discriminant analysis JF - Analytical and Bioanalytical Chemistry N2 - Most drugs are no longer produced in their own countries by the pharmaceutical companies, but by contract manufacturers or at manufacturing sites in countries that can produce more cheaply. This not only makes it difficult to trace them back but also leaves room for criminal organizations to fake them unnoticed. For these reasons, it is becoming increasingly difficult to determine the exact origin of drugs. The goal of this work was to investigate how exactly this is possible by using different spectroscopic methods like nuclear magnetic resonance and near- and mid-infrared spectroscopy in combination with multivariate data analysis. As an example, 56 out of 64 different paracetamol preparations, collected from 19 countries around the world, were chosen to investigate whether it is possible to determine the pharmaceutical company, manufacturing site, or country of origin. By means of suitable pre-processing of the spectra and the different information contained in each method, principal component analysis was able to evaluate manufacturing relationships between individual companies and to differentiate between production sites or formulations. Linear discriminant analysis showed different results depending on the spectral method and purpose. For all spectroscopic methods, it was found that the classification of the preparations to their manufacturer achieves better results than the classification to their pharmaceutical company. The best results were obtained with nuclear magnetic resonance and near-infrared data, with 94.6%/99.6% and 98.7/100% of the spectra of the preparations correctly assigned to their pharmaceutical company or manufacturer. KW - IR KW - Manufacturer KW - Linear discriminant analysis KW - Principal component analysis Y1 - 2021 U6 - http://dx.doi.org/10.1007/s00216-021-03249-z SN - 1618-2650 VL - 413 SP - 3107 EP - 3118 PB - Springer Nature ER - TY - JOUR A1 - Götten, Falk A1 - Havermann, Marc A1 - Braun, Carsten A1 - Marino, Matthew A1 - Bil, Cees T1 - Aerodynamic Investigations of UAV Sensor Turrets - A Combined Wind-tunnel and CFD Approach JF - SciTech 2021, AIAA SciTech Forum, online, WW, Jan 11-15, 2021 Y1 - 2021 U6 - http://dx.doi.org/10.2514/6.2021-1535 SP - 1 EP - 12 PB - AIAA CY - Reston, Va. ER - TY - JOUR A1 - Hugenroth, Kristin A1 - Neidlin, Michael A1 - Engelmann, Ulrich M. A1 - Kaufmann, Tim A. S. A1 - Steinseifer, Ulrich A1 - Heilmann, Torsten T1 - Tipless Transseptal Cannula Concept Combines Improved Hemodynamic Properties and Risk‐Reduced Placement: an In Silico Proof‐of‐Concept JF - Artificial Organs Y1 - 2021 U6 - http://dx.doi.org/10.1111/aor.13964 SN - 1525-1594 IS - Accepted Article PB - Wiley CY - Weinheim ER - TY - JOUR A1 - Harzheim, Thomas A1 - Mühmel, Marc A1 - Heuermann, Holger T1 - A SFCW harmonic radar system for maritime search and rescue using passive and active tags JF - International Journal of Microwave and Wireless Technologies N2 - This paper introduces a new maritime search and rescue system based on S-band illumination harmonic radar (HR). Passive and active tags have been developed and tested while attached to life jackets and a small boat. In this demonstration test carried out on the Baltic Sea, the system was able to detect and range the active tags up to a distance of 5800 m using an illumination signal transmit-power of 100 W. Special attention is given to the development, performance, and conceptual differences between passive and active tags used in the system. Guidelines for achieving a high HR dynamic range, including a system components description, are given and a comparison with other HR systems is performed. System integration with a commercial maritime X-band navigation radar is shown to demonstrate a solution for rapid search and rescue response and quick localization. KW - Radar KW - microwave measurements KW - harmonic radar KW - harmonic radar tags KW - nonlinear VNA measurements Y1 - 2021 U6 - http://dx.doi.org/10.1017/S1759078721000520 VL - 13 IS - Special Issue 7 SP - 691 EP - 707 PB - Cambridge University Press CY - Cambridge ER -